tert-butyl 4-(5-methoxy-5-oxo-3-quinolin-3-ylpentyl)piperidine-1-carboxylate;dichloromethane;methyl 5-piperidin-4-yl-3-quinolin-3-ylpentanoate;methyl 3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoate;3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoic acid;3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoic acid;2,2,2-trifluoroacetaldehyde

C120H148Cl2F3N17O15 — CID 158076676

IUPACtert-butyl 4-(5-methoxy-5-oxo-3-quinolin-3-ylpentyl)piperidine-1-carboxylate;dichloromethane;methyl 5-piperidin-4-yl-3-quinolin-3-ylpentanoate;methyl 3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoate;3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoic acid;3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoic acid;2,2,2-trifluoroacetaldehyde
SMILESCOC(=O)CC(CCC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc2ccccc2c1.COC(=O)CC(CCC1CCN(C(=O)c2cccc(NC3=NCCCN3)c2)CC1)c1cnc2ccccc2c1.COC(=O)CC(CCC1CCNCC1)c1cnc2ccccc2c1.ClCCl.O=C(O)CC(CCC1CCN(C(=O)c2cccc(NC3=NCCCN3)c2)CC1)c1cnc2ccccc2c1.O=C(O)c1cccc(NC2=NCCCN2)c1.O=CC(F)(F)F
InChIInChI=1S/C31H37N5O3.C30H35N5O3.C25H34N2O4.C20H26N2O2.C11H13N3O2.C2HF3O.CH2Cl2/c1-39-29(37)20-23(26-18-24-6-2-3-9-28(24)34-21-26)11-10-22-12-16-36(17-13-22)30(38)25-7-4-8-27(19-25)35-31-32-14-5-15-33-31;36-28(37)19-22(25-17-23-5-1-2-8-27(23)33-20-25)10-9-21-11-15-35(16-12-21)29(38)24-6-3-7-26(18-24)34-30-31-13-4-14-32-30;1-25(2,3)31-24(29)27-13-11-18(12-14-27)9-10-19(16-23(28)30-4)21-15-20-7-5-6-8-22(20)26-17-21;1-24-20(23)13-16(7-6-15-8-10-21-11-9-15)18-12-17-4-2-3-5-19(17)22-14-18;15-10(16)8-3-1-4-9(7-8)14-11-12-5-2-6-13-11;3-2(4,5)1-6;2-1-3/h2-4,6-9,18-19,21-23H,5,10-17,20H2,1H3,(H2,32,33,35);1-3,5-8,17-18,20-22H,4,9-16,19H2,(H,36,37)(H2,31,32,34);5-8,15,17-19H,9-14,16H2,1-4H3;2-5,12,14-16,21H,6-11,13H2,1H3;1,3-4,7H,2,5-6H2,(H,15,16)(H2,12,13,14);1H;1H2
InChIKeyFMLNQWROFVHWAU-UHFFFAOYSA-N
MW2196.51 g/mol
LogP22.15
Rot. Bonds30

About tert-butyl 4-(5-methoxy-5-oxo-3-quinolin-3-ylpentyl)piperidine-1-carboxylate;dichloromethane;methyl 5-piperidin-4-yl-3-quinolin-3-ylpentanoate;methyl 3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoate;3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoic acid;3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoic acid;2,2,2-trifluoroacetaldehyde

tert-butyl 4-(5-methoxy-5-oxo-3-quinolin-3-ylpentyl)piperidine-1-carboxylate;dichloromethane;methyl 5-piperidin-4-yl-3-quinolin-3-ylpentanoate;methyl 3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoate;3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoic acid;3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoic acid;2,2,2-trifluoroacetaldehyde (PubChem CID 158076676) has the molecular formula C120H148Cl2F3N17O15 and a molecular weight of 2196.51 g/mol. Its IUPAC name is tert-butyl 4-(5-methoxy-5-oxo-3-quinolin-3-ylpentyl)piperidine-1-carboxylate;dichloromethane;methyl 5-piperidin-4-yl-3-quinolin-3-ylpentanoate;methyl 3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoate;3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoic acid;3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoic acid;2,2,2-trifluoroacetaldehyde.

Molecular Properties

Compound Nametert-butyl 4-(5-methoxy-5-oxo-3-quinolin-3-ylpentyl)piperidine-1-carboxylate;dichloromethane;methyl 5-piperidin-4-yl-3-quinolin-3-ylpentanoate;methyl 3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoate;3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoic acid;3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoic acid;2,2,2-trifluoroacetaldehyde
PubChem CID158076676
Molecular FormulaC120H148Cl2F3N17O15
Molecular Weight2196.51 g/mol
Exact Mass2194.07
IUPAC Nametert-butyl 4-(5-methoxy-5-oxo-3-quinolin-3-ylpentyl)piperidine-1-carboxylate;dichloromethane;methyl 5-piperidin-4-yl-3-quinolin-3-ylpentanoate;methyl 3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoate;3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoic acid;3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoic acid;2,2,2-trifluoroacetaldehyde
SMILESCOC(=O)CC(CCC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc2ccccc2c1.COC(=O)CC(CCC1CCN(C(=O)c2cccc(NC3=NCCCN3)c2)CC1)c1cnc2ccccc2c1.COC(=O)CC(CCC1CCNCC1)c1cnc2ccccc2c1.ClCCl.O=C(O)CC(CCC1CCN(C(=O)c2cccc(NC3=NCCCN3)c2)CC1)c1cnc2ccccc2c1.O=C(O)c1cccc(NC2=NCCCN2)c1.O=CC(F)(F)F
InChIInChI=1S/C31H37N5O3.C30H35N5O3.C25H34N2O4.C20H26N2O2.C11H13N3O2.C2HF3O.CH2Cl2/c1-39-29(37)20-23(26-18-24-6-2-3-9-28(24)34-21-26)11-10-22-12-16-36(17-13-22)30(38)25-7-4-8-27(19-25)35-31-32-14-5-15-33-31;36-28(37)19-22(25-17-23-5-1-2-8-27(23)33-20-25)10-9-21-11-15-35(16-12-21)29(38)24-6-3-7-26(18-24)34-30-31-13-4-14-32-30;1-25(2,3)31-24(29)27-13-11-18(12-14-27)9-10-19(16-23(28)30-4)21-15-20-7-5-6-8-22(20)26-17-21;1-24-20(23)13-16(7-6-15-8-10-21-11-9-15)18-12-17-4-2-3-5-19(17)22-14-18;15-10(16)8-3-1-4-9(7-8)14-11-12-5-2-6-13-11;3-2(4,5)1-6;2-1-3/h2-4,6-9,18-19,21-23H,5,10-17,20H2,1H3,(H2,32,33,35);1-3,5-8,17-18,20-22H,4,9-16,19H2,(H,36,37)(H2,31,32,34);5-8,15,17-19H,9-14,16H2,1-4H3;2-5,12,14-16,21H,6-11,13H2,1H3;1,3-4,7H,2,5-6H2,(H,15,16)(H2,12,13,14);1H;1H2
InChIKeyFMLNQWROFVHWAU-UHFFFAOYSA-N
XLogP22.15
TPSA413.58 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds30
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002196.51
LogP ≤ 522.15
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze tert-butyl 4-(5-methoxy-5-oxo-3-quinolin-3-ylpentyl)piperidine-1-carboxylate;dichloromethane;methyl 5-piperidin-4-yl-3-quinolin-3-ylpentanoate;methyl 3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoate;3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoic acid;3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoic acid;2,2,2-trifluoroacetaldehyde with MolForge

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Related Compounds

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CID 157953703
tert-butyl 4-butylpiperazine-1-carboxylate;tert-butyl 4-[2-[methyl-[3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoyl]amino]ethyl]piperazine-1-carboxylate;3-N-methyl-3-N-(2-piperazin-1-ylethyl)-1-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide;3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid
CID 161773154
Methyl 3-quinolin-3-yl-5-[1-[3-[[5-[3-quinolin-3-yl-5-[1-[3-(2,3,4,5-tetrahydropyridin-6-ylamino)benzoyl]piperidin-4-yl]pentanoyl]oxy-1,4,5,6-tetrahydropyrimidin-2-yl]amino]benzoyl]piperidin-4-yl]pentanoate
CID 91171526
Tert-butyl 4-(5-methoxy-5-oxo-3-quinolin-3-ylpentyl)piperidine-1-carboxylate;dichloromethane;methyl 5-piperidin-4-yl-3-quinolin-3-ylpentanoate;methyl 3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoate;3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoic acid;3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoic acid
CID 157293123
3-aminobenzoic acid;tert-butyl 5-hydroxy-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine-1-carboxylate;3-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoic acid;5-[1-[3-[3-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]phenyl]propanoyl]piperidin-4-yl]-3-pyridin-3-ylpentanoic acid;methyl 5-[1-[3-[3-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]phenyl]propanoyl]piperidin-4-yl]-3-pyridin-3-ylpentanoate
CID 157328062
2-[(1S)-1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-6-fluoro-N-(2-hydroxyethyl)-3-pyridin-2-ylquinoline-4-carboxamide;tert-butyl N-[(1S)-1-[6-fluoro-4-(2-hydroxyethylcarbamoyl)-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate;6-fluoro-2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-pyridin-2-ylquinoline-4-carboxylic acid
CID 158142826
5-amino-N-(3-methylbut-2-enyl)-2-pyridin-3-ylquinoline-6-carboxamide;benzene;5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(1E)-1-(methylideneamino)buta-1,3-dien-2-yl]quinoline-6-carboxylic acid;tert-butyl N-(6-formyl-2-pyridin-3-ylquinolin-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[3-methylbut-2-enyl(phenyl)carbamoyl]-2-pyridin-3-ylquinolin-5-yl]carbamate;dichloromethane;N-(3-methylbut-2-enyl)aniline;5-methyl-N-(3-methylbut-2-enyl)-N-phenyl-2-pyridin-3-ylquinoline-6-carboxamide
CID 158693854
tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-(quinazolin-2-ylmethyl)piperidine-1-carboxylate;2-chloroquinazoline;deuterio(fluoro)methane;2-[[(3S)-piperidin-3-yl]methyl]quinazoline;4-(prop-2-enoylamino)benzoic acid;N-[4-[(3S)-3-(quinazolin-2-ylmethyl)piperidine-1-carbonyl]phenyl]prop-2-enamide;dihydrochloride
CID 158821195
lithium;alumane;tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl 4-[(Z)-1-hydroxy-3-quinolin-3-ylprop-2-enyl]piperidine-1-carboxylate;tert-butyl 4-(1-hydroxy-3-quinolin-3-ylprop-2-ynyl)piperidine-1-carboxylate;tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;tert-butyl 4-[(E)-5-methoxy-5-oxo-3-quinolin-3-ylpent-1-enyl]piperidine-1-carboxylate;tert-butyl 4-(5-methoxy-5-oxo-3-quinolin-3-ylpentyl)piperidine-1-carboxylate;dichloromethane;ethoxyethane;3-ethynylquinoline;hydride;methyl 3-chloro-3-oxopropanoate;1-O-methyl 3-O-[(Z)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-quinolin-3-ylprop-2-enyl] propanedioate;methyl 5-piperidin-4-yl-3-quinolin-3-ylpentanoate;3-(1,4,5,6-tetrahydropyrimidin-2-ylmethyl)benzoic acid
CID 159612841
lithium;alumane;tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl 4-[(Z)-1-hydroxy-3-quinolin-3-ylprop-2-enyl]piperidine-1-carboxylate;tert-butyl 4-(1-hydroxy-3-quinolin-3-ylprop-2-ynyl)piperidine-1-carboxylate;tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;tert-butyl 4-[(E)-5-methoxy-5-oxo-3-quinolin-3-ylpent-1-enyl]piperidine-1-carboxylate;tert-butyl 4-(5-methoxy-5-oxo-3-quinolin-3-ylpentyl)piperidine-1-carboxylate;dichloromethane;ethoxyethane;3-ethynylquinoline;hydride;methyl 3-chloro-3-oxopropanoate;1-O-methyl 3-O-[(Z)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-quinolin-3-ylprop-2-enyl] propanedioate;methyl 5-piperidin-4-yl-3-quinolin-3-ylpentanoate;methyl 3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoate;3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoic acid
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5-(3,5-Difluoroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid;5-[2-(3-fluorophenyl)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(3-phenylpropylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid
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2-[(1S)-1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-N-ethyl-6-fluoro-3-pyridin-2-ylquinoline-4-carboxamide;tert-butyl N-[(1S)-1-[4-(ethylcarbamoyl)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate;6-fluoro-2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-pyridin-2-ylquinoline-4-carboxylic acid
CID 160216805

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-methoxy-5-oxo-3-quinolin-3-ylpentyl)piperidine-1-carboxylate;dichloromethane;methyl 5-piperidin-4-yl-3-quinolin-3-ylpentanoate;methyl 3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoate;3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoic acid;3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoic acid;2,2,2-trifluoroacetaldehyde?
The IUPAC name of tert-butyl 4-(5-methoxy-5-oxo-3-quinolin-3-ylpentyl)piperidine-1-carboxylate;dichloromethane;methyl 5-piperidin-4-yl-3-quinolin-3-ylpentanoate;methyl 3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoate;3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoic acid;3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoic acid;2,2,2-trifluoroacetaldehyde (CID 158076676) is tert-butyl 4-(5-methoxy-5-oxo-3-quinolin-3-ylpentyl)piperidine-1-carboxylate;dichloromethane;methyl 5-piperidin-4-yl-3-quinolin-3-ylpentanoate;methyl 3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoate;3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoic acid;3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoic acid;2,2,2-trifluoroacetaldehyde.
What is the SMILES notation for tert-butyl 4-(5-methoxy-5-oxo-3-quinolin-3-ylpentyl)piperidine-1-carboxylate;dichloromethane;methyl 5-piperidin-4-yl-3-quinolin-3-ylpentanoate;methyl 3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoate;3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoic acid;3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoic acid;2,2,2-trifluoroacetaldehyde?
The canonical SMILES for tert-butyl 4-(5-methoxy-5-oxo-3-quinolin-3-ylpentyl)piperidine-1-carboxylate;dichloromethane;methyl 5-piperidin-4-yl-3-quinolin-3-ylpentanoate;methyl 3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoate;3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoic acid;3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoic acid;2,2,2-trifluoroacetaldehyde is COC(=O)CC(CCC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc2ccccc2c1.COC(=O)CC(CCC1CCN(C(=O)c2cccc(NC3=NCCCN3)c2)CC1)c1cnc2ccccc2c1.COC(=O)CC(CCC1CCNCC1)c1cnc2ccccc2c1.ClCCl.O=C(O)CC(CCC1CCN(C(=O)c2cccc(NC3=NCCCN3)c2)CC1)c1cnc2ccccc2c1.O=C(O)c1cccc(NC2=NCCCN2)c1.O=CC(F)(F)F.
What is the InChIKey of tert-butyl 4-(5-methoxy-5-oxo-3-quinolin-3-ylpentyl)piperidine-1-carboxylate;dichloromethane;methyl 5-piperidin-4-yl-3-quinolin-3-ylpentanoate;methyl 3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoate;3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoic acid;3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoic acid;2,2,2-trifluoroacetaldehyde?
The InChIKey is FMLNQWROFVHWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N5O3.C30H35N5O3.C25H34N2O4.C20H26N2O2.C11H13N3O2.C2HF3O.CH2Cl2/c1-39-29(37)20-23(26-18-24-6-2-3-9-28(24)34-21-26)11-10-22-12-16-36(17-13-22)30(38)25-7-4-8-27(19-25)35-31-32-14-5-15-33-31;36-28(37)19-22(25-17-23-5-1-2-8-27(23)33-20-25)10-9-21-11-15-35(16-12-21)29(38)24-6-3-7-26(18-24)34-30-31-13-4-14-32-30;1-25(2,3)31-24(29)27-13-11-18(12-14-27)9-10-19(16-23(28)30-4)21-15-20-7-5-6-8-22(20)26-17-21;1-24-20(23)13-16(7-6-15-8-10-21-11-9-15)18-12-17-4-2-3-5-19(17)22-14-18;15-10(16)8-3-1-4-9(7-8)14-11-12-5-2-6-13-11;3-2(4,5)1-6;2-1-3/h2-4,6-9,18-19,21-23H,5,10-17,20H2,1H3,(H2,32,33,35);1-3,5-8,17-18,20-22H,4,9-16,19H2,(H,36,37)(H2,31,32,34);5-8,15,17-19H,9-14,16H2,1-4H3;2-5,12,14-16,21H,6-11,13H2,1H3;1,3-4,7H,2,5-6H2,(H,15,16)(H2,12,13,14);1H;1H2.
What are the key properties of tert-butyl 4-(5-methoxy-5-oxo-3-quinolin-3-ylpentyl)piperidine-1-carboxylate;dichloromethane;methyl 5-piperidin-4-yl-3-quinolin-3-ylpentanoate;methyl 3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoate;3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoic acid;3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoic acid;2,2,2-trifluoroacetaldehyde?
tert-butyl 4-(5-methoxy-5-oxo-3-quinolin-3-ylpentyl)piperidine-1-carboxylate;dichloromethane;methyl 5-piperidin-4-yl-3-quinolin-3-ylpentanoate;methyl 3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoate;3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoic acid;3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoic acid;2,2,2-trifluoroacetaldehyde has a molecular weight of 2196.51 g/mol, XLogP of 22.15, 30 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-methoxy-5-oxo-3-quinolin-3-ylpentyl)piperidine-1-carboxylate;dichloromethane;methyl 5-piperidin-4-yl-3-quinolin-3-ylpentanoate;methyl 3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoate;3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoic acid;3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoic acid;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 158076676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).