6-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]pyridine-3-carboxamide

C105H115F4N13O10 — CID 160903740

IUPAC6-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]pyridine-3-carboxamide
SMILESCCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2C(F)(F)F)nc1.CCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2F)nc1.CCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2OC)nc1.CCCCNC(=O)c1ccc(-c2cc3c(N)c(C(=O)CC4CC4)cnc3cc2OC)nc1
InChIInChI=1S/C27H28F3N3O2.C27H31N3O3.C26H28FN3O2.C25H28N4O3/c1-3-5-10-31-26(35)17-8-9-23(32-14-17)20-12-19-18(4-2)21(25(34)11-16-6-7-16)15-33-24(19)13-22(20)27(28,29)30;1-4-6-11-28-27(32)18-9-10-23(29-15-18)21-13-20-19(5-2)22(25(31)12-17-7-8-17)16-30-24(20)14-26(21)33-3;1-3-5-10-28-26(32)17-8-9-23(29-14-17)20-12-19-18(4-2)21(25(31)11-16-6-7-16)15-30-24(19)13-22(20)27;1-3-4-9-27-25(31)16-7-8-20(28-13-16)17-11-18-21(12-23(17)32-2)29-14-19(24(18)26)22(30)10-15-5-6-15/h8-9,12-16H,3-7,10-11H2,1-2H3,(H,31,35);9-10,13-17H,4-8,11-12H2,1-3H3,(H,28,32);8-9,12-16H,3-7,10-11H2,1-2H3,(H,28,32);7-8,11-15H,3-6,9-10H2,1-2H3,(H2,26,29)(H,27,31)
InChIKeySPVUVZPTSDMNQI-UHFFFAOYSA-N
MW1795.15 g/mol
LogP21.68
Rot. Bonds37

About 6-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]pyridine-3-carboxamide

6-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]pyridine-3-carboxamide (PubChem CID 160903740) has the molecular formula C105H115F4N13O10 and a molecular weight of 1795.15 g/mol. Its IUPAC name is 6-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]pyridine-3-carboxamide
PubChem CID160903740
Molecular FormulaC105H115F4N13O10
Molecular Weight1795.15 g/mol
Exact Mass1793.88
IUPAC Name6-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]pyridine-3-carboxamide
SMILESCCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2C(F)(F)F)nc1.CCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2F)nc1.CCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2OC)nc1.CCCCNC(=O)c1ccc(-c2cc3c(N)c(C(=O)CC4CC4)cnc3cc2OC)nc1
InChIInChI=1S/C27H28F3N3O2.C27H31N3O3.C26H28FN3O2.C25H28N4O3/c1-3-5-10-31-26(35)17-8-9-23(32-14-17)20-12-19-18(4-2)21(25(34)11-16-6-7-16)15-33-24(19)13-22(20)27(28,29)30;1-4-6-11-28-27(32)18-9-10-23(29-15-18)21-13-20-19(5-2)22(25(31)12-17-7-8-17)16-30-24(20)14-26(21)33-3;1-3-5-10-28-26(32)17-8-9-23(29-14-17)20-12-19-18(4-2)21(25(31)11-16-6-7-16)15-30-24(19)13-22(20)27;1-3-4-9-27-25(31)16-7-8-20(28-13-16)17-11-18-21(12-23(17)32-2)29-14-19(24(18)26)22(30)10-15-5-6-15/h8-9,12-16H,3-7,10-11H2,1-2H3,(H,31,35);9-10,13-17H,4-8,11-12H2,1-3H3,(H,28,32);8-9,12-16H,3-7,10-11H2,1-2H3,(H,28,32);7-8,11-15H,3-6,9-10H2,1-2H3,(H2,26,29)(H,27,31)
InChIKeySPVUVZPTSDMNQI-UHFFFAOYSA-N
XLogP21.68
TPSA332.28 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds37
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001795.15
LogP ≤ 521.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[1-(quinoline-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
CID 134138260
4-(2-Fluoro-4-methylanilino)-7-methoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide
CID 24984558
4-(2,4-Difluoroanilino)-7-methoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide
CID 24984560
4-(2-Fluoro-4-methylanilino)-7-methoxy-6-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide
CID 24984714
4-(2,4-Difluoroanilino)-7-methoxy-6-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide
CID 24984715
4-(2,4-Difluorophenylamino)-7-ethoxy-6-(6-methoxypyridin-3-yl)quinoline-3-carboxamide
CID 68905538
4-[(2,4-Difluorophenyl)amino]-7-ethoxy-6-piperidin-4-ylquinoline-3-carboxamide
CID 68977861
Ethyl 6-(1-acetylpiperidin-4-yl)-4-[(2,4-difluorophenyl)amino]-7-methoxyquinoline-3-carboxylate
CID 69027674
4-(2,4-Difluoroanilino)-7-methoxy-6-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide
CID 69041955
(2S)-2-[9-[4-[8-[(S)-carboxy-[(2-methylpropan-2-yl)oxy]methyl]-7,10-dimethyl-9-(4-methylphenyl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5-yl]-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl]-3-fluoro-7,10-dimethyl-5-oxo-6H-benzo[h][1,6]naphthyridin-8-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 144676852
7-(difluoromethoxy)-6-methyl-N-(2-methylidene-3,4-dihydro-1H-quinolin-4-yl)quinoline-3-carboxamide
CID 145333197
2-[3-fluoro-7,10-dimethyl-9-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-5-oxo-6H-benzo[h][1,6]naphthyridin-8-yl]acetic acid
CID 146207753

Frequently Asked Questions

What is the IUPAC name of 6-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]pyridine-3-carboxamide (CID 160903740) is 6-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]pyridine-3-carboxamide is CCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2C(F)(F)F)nc1.CCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2F)nc1.CCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2OC)nc1.CCCCNC(=O)c1ccc(-c2cc3c(N)c(C(=O)CC4CC4)cnc3cc2OC)nc1.
What is the InChIKey of 6-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]pyridine-3-carboxamide?
The InChIKey is SPVUVZPTSDMNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N3O2.C27H31N3O3.C26H28FN3O2.C25H28N4O3/c1-3-5-10-31-26(35)17-8-9-23(32-14-17)20-12-19-18(4-2)21(25(34)11-16-6-7-16)15-33-24(19)13-22(20)27(28,29)30;1-4-6-11-28-27(32)18-9-10-23(29-15-18)21-13-20-19(5-2)22(25(31)12-17-7-8-17)16-30-24(20)14-26(21)33-3;1-3-5-10-28-26(32)17-8-9-23(29-14-17)20-12-19-18(4-2)21(25(31)11-16-6-7-16)15-30-24(19)13-22(20)27;1-3-4-9-27-25(31)16-7-8-20(28-13-16)17-11-18-21(12-23(17)32-2)29-14-19(24(18)26)22(30)10-15-5-6-15/h8-9,12-16H,3-7,10-11H2,1-2H3,(H,31,35);9-10,13-17H,4-8,11-12H2,1-3H3,(H,28,32);8-9,12-16H,3-7,10-11H2,1-2H3,(H,28,32);7-8,11-15H,3-6,9-10H2,1-2H3,(H2,26,29)(H,27,31).
What are the key properties of 6-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]pyridine-3-carboxamide?
6-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]pyridine-3-carboxamide has a molecular weight of 1795.15 g/mol, XLogP of 21.68, 37 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]pyridine-3-carboxamide is sourced from PubChem (CID 160903740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).