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

C118H147Cl2N17O14 — CID 157293123

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
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
InChIInChI=1S/C31H37N5O3.C30H35N5O3.C25H34N2O4.C20H26N2O2.C11H13N3O2.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;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);1H2
InChIKeyBBANPJNAHRDUHD-UHFFFAOYSA-N
MW2098.48 g/mol
LogP21.40
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

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 (PubChem CID 157293123) has the molecular formula C118H147Cl2N17O14 and a molecular weight of 2098.48 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.

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
PubChem CID157293123
Molecular FormulaC118H147Cl2N17O14
Molecular Weight2098.48 g/mol
Exact Mass2096.07
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
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
InChIInChI=1S/C31H37N5O3.C30H35N5O3.C25H34N2O4.C20H26N2O2.C11H13N3O2.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;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);1H2
InChIKeyBBANPJNAHRDUHD-UHFFFAOYSA-N
XLogP21.40
TPSA396.51 Ų
H-Bond Donors9
H-Bond Acceptors26
Rotatable Bonds30
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002098.48
LogP ≤ 521.40
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', '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 with MolForge

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Related Compounds

3-[[6-Fluoro-1-[3-[4-[(6-fluoroquinolin-4-yl)amino]-2-[[6-(pyridin-4-ylamino)-2-pyridinyl]carbamoyl]phenyl]-2-methylpropyl]quinolin-1-ium-4-yl]amino]benzoic acid
CID 157042756
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
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 5-hydroxy-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-[3-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]phenyl]acetic acid;3-[1-[2-[3-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]phenyl]acetyl]piperidin-4-yl]-3-quinolin-3-ylpropanoic acid;methane;methyl 3-[1-[2-[3-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]phenyl]acetyl]piperidin-4-yl]-3-quinolin-3-ylpropanoate;2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol;hydrochloride
CID 157191661
2-(2-Amino-5-phenylphenyl)-1-(2-piperazin-1-ylquinolin-6-yl)ethanone;tert-butyl 4-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]acetyl]quinolin-2-yl]piperazine-1-carboxylate;2-methyl-4-phenylaniline;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-6-carboxylic acid
CID 157218882
tert-butyl 4-[2-[[3-[[4-(diethylamino)-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoyl]-methylamino]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-(methylamino)ethyl]piperazine-1-carboxylate;3-[[4-(diethylamino)-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid;1-N-[4-(diethylamino)-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]-3-N-methyl-3-N-(2-piperazin-1-ylethyl)benzene-1,3-dicarboxamide;methane
CID 157232443
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
Tert-butyl 4-(6-carbamoylquinolin-4-yl)piperidine-1-carboxylate;4-cyclohexylquinoline-6-carboxamide;methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]quinoline-6-carboxylate;4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]quinoline-6-carboxylic acid;hydrochloride
CID 157525710
9-[2-[(4-Tert-butylcyclohexyl)amino]quinazoline-6-carbonyl]-9-azabicyclo[3.3.1]nonane-3-carboxylic acid;2-[(4-tert-butylcyclohexyl)amino]quinazoline-6-carboxylic acid;methyl 9-[2-[(4-tert-butylcyclohexyl)amino]quinazoline-6-carbonyl]-9-azabicyclo[3.3.1]nonane-3-carboxylate
CID 157746250
tert-butyl 4-[2-(methylamino)ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[methyl-[3-[[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-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-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide;3-[[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid
CID 157751948
1-(5-anilinobenzo[c][2,6]naphthyridin-8-yl)ethanone;5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid;N',N'-dimethyl-N-[8-(4H-pyrazol-3-yl)benzo[c][2,6]naphthyridin-5-yl]ethane-1,2-diamine;methyl 5-anilinobenzo[c][2,6]naphthyridine-8-carboxylate;N-phenyl-8-(4H-pyrazol-3-yl)benzo[c][2,6]naphthyridin-5-amine
CID 157999773
2-(2-Amino-5-phenylphenyl)-1-(2-piperazin-1-ylquinolin-6-yl)ethanone;tert-butyl 4-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]acetyl]quinolin-2-yl]piperazine-1-carboxylate;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-6-carboxylic acid
CID 158063268

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?
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 (CID 157293123) 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.
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?
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 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.
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?
The InChIKey is BBANPJNAHRDUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N5O3.C30H35N5O3.C25H34N2O4.C20H26N2O2.C11H13N3O2.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;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);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?
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 has a molecular weight of 2098.48 g/mol, XLogP of 21.40, 30 rotatable bonds, 9 hydrogen bond donors, and 26 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 is sourced from PubChem (CID 157293123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).