5-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]pyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]pyridine-2-carboxamide

C105H115F4N13O10 — CID 158323015

IUPAC5-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]pyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]pyridine-2-carboxamide
SMILESCCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2C(F)(F)F)cn1.CCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2F)cn1.CCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2OC)cn1.CCCCNC(=O)c1ccc(-c2cc3c(N)c(C(=O)CC4CC4)cnc3cc2OC)cn1
InChIInChI=1S/C27H28F3N3O2.C27H31N3O3.C26H28FN3O2.C25H28N4O3/c1-3-5-10-31-26(35)23-9-8-17(14-32-23)19-12-20-18(4-2)21(25(34)11-16-6-7-16)15-33-24(20)13-22(19)27(28,29)30;1-4-6-11-28-27(32)23-10-9-18(15-29-23)20-13-21-19(5-2)22(25(31)12-17-7-8-17)16-30-24(21)14-26(20)33-3;1-3-5-10-28-26(32)23-9-8-17(14-29-23)19-12-20-18(4-2)21(25(31)11-16-6-7-16)15-30-24(20)13-22(19)27;1-3-4-9-27-25(31)20-8-7-16(13-28-20)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)
InChIKeyGPBQQPMYMPAXRX-UHFFFAOYSA-N
MW1795.15 g/mol
LogP21.68
Rot. Bonds37

About 5-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]pyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]pyridine-2-carboxamide

5-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]pyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]pyridine-2-carboxamide (PubChem CID 158323015) has the molecular formula C105H115F4N13O10 and a molecular weight of 1795.15 g/mol. Its IUPAC name is 5-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]pyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]pyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]pyridine-2-carboxamide
PubChem CID158323015
Molecular FormulaC105H115F4N13O10
Molecular Weight1795.15 g/mol
Exact Mass1793.88
IUPAC Name5-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]pyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]pyridine-2-carboxamide
SMILESCCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2C(F)(F)F)cn1.CCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2F)cn1.CCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2OC)cn1.CCCCNC(=O)c1ccc(-c2cc3c(N)c(C(=O)CC4CC4)cnc3cc2OC)cn1
InChIInChI=1S/C27H28F3N3O2.C27H31N3O3.C26H28FN3O2.C25H28N4O3/c1-3-5-10-31-26(35)23-9-8-17(14-32-23)19-12-20-18(4-2)21(25(34)11-16-6-7-16)15-33-24(20)13-22(19)27(28,29)30;1-4-6-11-28-27(32)23-10-9-18(15-29-23)20-13-21-19(5-2)22(25(31)12-17-7-8-17)16-30-24(21)14-26(20)33-3;1-3-5-10-28-26(32)23-9-8-17(14-29-23)19-12-20-18(4-2)21(25(31)11-16-6-7-16)15-30-24(20)13-22(19)27;1-3-4-9-27-25(31)20-8-7-16(13-28-20)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)
InChIKeyGPBQQPMYMPAXRX-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 5-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]pyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]pyridine-2-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
8-methoxy-5-piperidin-4-yl-N-[4-piperidin-4-yl-1-(trifluoromethyl)isoquinolin-6-yl]isoquinoline-3-carboxamide
CID 138572924
(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
4-anilino-6-[4-(4-azidobutylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-7-methoxyquinoline-3-carboxamide
CID 150815931
Methyl 4-[4-anilino-3-(cyclopropylcarbamoyl)-7-methoxyquinolin-6-yl]-2-fluorobenzoate
CID 151124053
4-anilino-6-[4-[[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propanoylamino]butylamino]-hydroxymethyl]-3-fluorophenyl]-7-methoxy-N-methylquinoline-3-carboxamide
CID 153542727
4-anilino-6-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propanoylamino]butylcarbamoyl]-3-fluorophenyl]-7-methoxy-N-methylquinoline-3-carboxamide
CID 153542861
4-anilino-N-cyclopropyl-6-[4-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]triazol-1-yl]butylcarbamoyl]-3-fluorophenyl]-7-methoxyquinoline-3-carboxamide
CID 153542867
6-[4-(4-aminobutylcarbamoyl)-3-fluorophenyl]-4-anilino-N-cyclopropyl-7-methoxyquinoline-3-carboxamide
CID 153543167
4-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-fluorobenzamide;4-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-butyl-2-fluorobenzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butyl-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]-2-fluorobenzamide
CID 157164002
4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[3-(2-cyclopropylacetyl)-4-(2-phenylethyl)-7-(trifluoromethoxy)quinolin-6-yl]-N-(4-methylcyclohexyl)benzamide
CID 157213673
5-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpyrazine-2-carboxamide;5-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyrazine-2-carboxamide;5-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpyrazine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]pyrazine-2-carboxamide
CID 157418246

Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]pyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]pyridine-2-carboxamide?
The IUPAC name of 5-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]pyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]pyridine-2-carboxamide (CID 158323015) is 5-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]pyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]pyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]pyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]pyridine-2-carboxamide is CCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2C(F)(F)F)cn1.CCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2F)cn1.CCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2OC)cn1.CCCCNC(=O)c1ccc(-c2cc3c(N)c(C(=O)CC4CC4)cnc3cc2OC)cn1.
What is the InChIKey of 5-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]pyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]pyridine-2-carboxamide?
The InChIKey is GPBQQPMYMPAXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N3O2.C27H31N3O3.C26H28FN3O2.C25H28N4O3/c1-3-5-10-31-26(35)23-9-8-17(14-32-23)19-12-20-18(4-2)21(25(34)11-16-6-7-16)15-33-24(20)13-22(19)27(28,29)30;1-4-6-11-28-27(32)23-10-9-18(15-29-23)20-13-21-19(5-2)22(25(31)12-17-7-8-17)16-30-24(21)14-26(20)33-3;1-3-5-10-28-26(32)23-9-8-17(14-29-23)19-12-20-18(4-2)21(25(31)11-16-6-7-16)15-30-24(20)13-22(19)27;1-3-4-9-27-25(31)20-8-7-16(13-28-20)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 5-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]pyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]pyridine-2-carboxamide?
5-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]pyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]pyridine-2-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 5-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]pyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 158323015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).