tert-butyl 2-[[[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carbonyl]amino]methyl]piperidine-1-carboxylate;N-(cyclohexylmethyl)-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide

C48H57F6N5O4 — CID 157246428

IUPACtert-butyl 2-[[[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carbonyl]amino]methyl]piperidine-1-carboxylate;N-(cyclohexylmethyl)-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide
SMILESCc1cc(C(=O)NCC2CCCCC2)nc2c(C(F)(F)F)cc(C3CC3)cc12.Cc1cc(C(=O)NCC2CCCCN2C(=O)OC(C)(C)C)nc2c(C(F)(F)F)cc(C3CC3)cc12
InChIInChI=1S/C26H32F3N3O3.C22H25F3N2O/c1-15-11-21(31-22-19(15)12-17(16-8-9-16)13-20(22)26(27,28)29)23(33)30-14-18-7-5-6-10-32(18)24(34)35-25(2,3)4;1-13-9-19(21(28)26-12-14-5-3-2-4-6-14)27-20-17(13)10-16(15-7-8-15)11-18(20)22(23,24)25/h11-13,16,18H,5-10,14H2,1-4H3,(H,30,33);9-11,14-15H,2-8,12H2,1H3,(H,26,28)
InChIKeyAVVBDUVQBVYWCJ-UHFFFAOYSA-N
MW882.00 g/mol
LogP11.71
Rot. Bonds8

About tert-butyl 2-[[[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carbonyl]amino]methyl]piperidine-1-carboxylate;N-(cyclohexylmethyl)-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide

tert-butyl 2-[[[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carbonyl]amino]methyl]piperidine-1-carboxylate;N-(cyclohexylmethyl)-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide (PubChem CID 157246428) has the molecular formula C48H57F6N5O4 and a molecular weight of 882.00 g/mol. Its IUPAC name is tert-butyl 2-[[[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carbonyl]amino]methyl]piperidine-1-carboxylate;N-(cyclohexylmethyl)-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide.

Molecular Properties

Compound Nametert-butyl 2-[[[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carbonyl]amino]methyl]piperidine-1-carboxylate;N-(cyclohexylmethyl)-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide
PubChem CID157246428
Molecular FormulaC48H57F6N5O4
Molecular Weight882.00 g/mol
Exact Mass881.43
IUPAC Nametert-butyl 2-[[[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carbonyl]amino]methyl]piperidine-1-carboxylate;N-(cyclohexylmethyl)-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide
SMILESCc1cc(C(=O)NCC2CCCCC2)nc2c(C(F)(F)F)cc(C3CC3)cc12.Cc1cc(C(=O)NCC2CCCCN2C(=O)OC(C)(C)C)nc2c(C(F)(F)F)cc(C3CC3)cc12
InChIInChI=1S/C26H32F3N3O3.C22H25F3N2O/c1-15-11-21(31-22-19(15)12-17(16-8-9-16)13-20(22)26(27,28)29)23(33)30-14-18-7-5-6-10-32(18)24(34)35-25(2,3)4;1-13-9-19(21(28)26-12-14-5-3-2-4-6-14)27-20-17(13)10-16(15-7-8-15)11-18(20)22(23,24)25/h11-13,16,18H,5-10,14H2,1-4H3,(H,30,33);9-11,14-15H,2-8,12H2,1H3,(H,26,28)
InChIKeyAVVBDUVQBVYWCJ-UHFFFAOYSA-N
XLogP11.71
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.00
LogP ≤ 511.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-[[[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carbonyl]amino]methyl]piperidine-1-carboxylate;N-(cyclohexylmethyl)-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide with MolForge

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Related Compounds

Tert-butyl 4-[2-[[6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]quinoline-4-carbonyl]amino]ethyl]piperazine-1-carboxylate
CID 132569643
N-[(1R)-1-phenylethyl]-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 137637570
N-[(1S)-1-phenylpropyl]-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 137639683
3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]quinoline-4-carboxamide
CID 137641584
(S)-3-([1,4'-Bipiperidin]-1'-ylmethyl)-N-(1-phenylethyl)-2-(3-(trifluoromethyl)phenyl)quinoline-4-carboxamide
CID 137647980
N-[(1S)-1-phenylethyl]-3-[(4-piperazin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 137655371
3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]quinoline-4-carboxamide
CID 137657548
N-[(1S)-2-methyl-1-phenylpropyl]-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 137661997
N-[(2S,8S,12S,15S,21S,25S)-8,21-dibenzyl-1,4,7,14,17,20-hexamethyl-2,15-bis(2-methylpropyl)-3,6,9,13,16,19,22,26-octaoxo-25-(quinoline-2-carbonylamino)-1,4,7,10,14,17,20,23-octazacyclohexacos-12-yl]quinoline-2-carboxamide
CID 24878778
N-[(3S,9S,12S,19S,25S,28S)-4,7,10,20,23,26-hexamethyl-3,9,19,25-tetrakis(2-methylpropyl)-2,5,8,11,18,21,24,27-octaoxo-28-(quinoline-2-carbonylamino)-1,4,7,10,17,20,23,26-octazacyclodotriacont-12-yl]quinoline-2-carboxamide
CID 24878941
N-[(2S)-1-[8-[[(2S)-2-(acridine-9-carbonylamino)-3-methylbutanoyl]amino]octylamino]-3-methyl-1-oxobutan-2-yl]acridine-9-carboxamide
CID 145967580
N-(1-cyclohexylethyl)-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-6-(trifluoromethyl)quinoline-4-carboxamide
CID 44215561

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carbonyl]amino]methyl]piperidine-1-carboxylate;N-(cyclohexylmethyl)-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide?
The IUPAC name of tert-butyl 2-[[[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carbonyl]amino]methyl]piperidine-1-carboxylate;N-(cyclohexylmethyl)-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide (CID 157246428) is tert-butyl 2-[[[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carbonyl]amino]methyl]piperidine-1-carboxylate;N-(cyclohexylmethyl)-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide.
What is the SMILES notation for tert-butyl 2-[[[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carbonyl]amino]methyl]piperidine-1-carboxylate;N-(cyclohexylmethyl)-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide?
The canonical SMILES for tert-butyl 2-[[[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carbonyl]amino]methyl]piperidine-1-carboxylate;N-(cyclohexylmethyl)-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide is Cc1cc(C(=O)NCC2CCCCC2)nc2c(C(F)(F)F)cc(C3CC3)cc12.Cc1cc(C(=O)NCC2CCCCN2C(=O)OC(C)(C)C)nc2c(C(F)(F)F)cc(C3CC3)cc12.
What is the InChIKey of tert-butyl 2-[[[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carbonyl]amino]methyl]piperidine-1-carboxylate;N-(cyclohexylmethyl)-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide?
The InChIKey is AVVBDUVQBVYWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N3O3.C22H25F3N2O/c1-15-11-21(31-22-19(15)12-17(16-8-9-16)13-20(22)26(27,28)29)23(33)30-14-18-7-5-6-10-32(18)24(34)35-25(2,3)4;1-13-9-19(21(28)26-12-14-5-3-2-4-6-14)27-20-17(13)10-16(15-7-8-15)11-18(20)22(23,24)25/h11-13,16,18H,5-10,14H2,1-4H3,(H,30,33);9-11,14-15H,2-8,12H2,1H3,(H,26,28).
What are the key properties of tert-butyl 2-[[[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carbonyl]amino]methyl]piperidine-1-carboxylate;N-(cyclohexylmethyl)-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide?
tert-butyl 2-[[[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carbonyl]amino]methyl]piperidine-1-carboxylate;N-(cyclohexylmethyl)-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide has a molecular weight of 882.00 g/mol, XLogP of 11.71, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carbonyl]amino]methyl]piperidine-1-carboxylate;N-(cyclohexylmethyl)-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide is sourced from PubChem (CID 157246428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).