3-chloro-N-[2-[7-(4-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]-8-methoxy-2-methylquinoline-6-carboxamide;formaldehyde;methanamine

C33H35Cl2FN4O4 — CID 164910750

IUPAC3-chloro-N-[2-[7-(4-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]-8-methoxy-2-methylquinoline-6-carboxamide;formaldehyde;methanamine
SMILESC=O.CN.COc1cc(C(=O)NCC(c2cc3c(c(-c4ccc(Cl)c(F)c4)n2)OCC3C)C2CC2)cc2cc(Cl)c(C)nc12
InChIInChI=1S/C31H28Cl2FN3O3.CH5N.CH2O/c1-15-14-40-30-21(15)12-26(37-29(30)18-6-7-23(32)25(34)10-18)22(17-4-5-17)13-35-31(38)20-8-19-9-24(33)16(2)36-28(19)27(11-20)39-3;2*1-2/h6-12,15,17,22H,4-5,13-14H2,1-3H3,(H,35,38);2H2,1H3;1H2
InChIKeyGZTNFUHLESRIKY-UHFFFAOYSA-N
MW641.57 g/mol
LogP6.87
Rot. Bonds7

About 3-chloro-N-[2-[7-(4-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]-8-methoxy-2-methylquinoline-6-carboxamide;formaldehyde;methanamine

3-chloro-N-[2-[7-(4-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]-8-methoxy-2-methylquinoline-6-carboxamide;formaldehyde;methanamine (PubChem CID 164910750) has the molecular formula C33H35Cl2FN4O4 and a molecular weight of 641.57 g/mol. Its IUPAC name is 3-chloro-N-[2-[7-(4-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]-8-methoxy-2-methylquinoline-6-carboxamide;formaldehyde;methanamine.

Molecular Properties

Compound Name3-chloro-N-[2-[7-(4-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]-8-methoxy-2-methylquinoline-6-carboxamide;formaldehyde;methanamine
PubChem CID164910750
Molecular FormulaC33H35Cl2FN4O4
Molecular Weight641.57 g/mol
Exact Mass640.20
IUPAC Name3-chloro-N-[2-[7-(4-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]-8-methoxy-2-methylquinoline-6-carboxamide;formaldehyde;methanamine
SMILESC=O.CN.COc1cc(C(=O)NCC(c2cc3c(c(-c4ccc(Cl)c(F)c4)n2)OCC3C)C2CC2)cc2cc(Cl)c(C)nc12
InChIInChI=1S/C31H28Cl2FN3O3.CH5N.CH2O/c1-15-14-40-30-21(15)12-26(37-29(30)18-6-7-23(32)25(34)10-18)22(17-4-5-17)13-35-31(38)20-8-19-9-24(33)16(2)36-28(19)27(11-20)39-3;2*1-2/h6-12,15,17,22H,4-5,13-14H2,1-3H3,(H,35,38);2H2,1H3;1H2
InChIKeyGZTNFUHLESRIKY-UHFFFAOYSA-N
XLogP6.87
TPSA116.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.57
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-chloro-N-[2-[7-(4-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]-8-methoxy-2-methylquinoline-6-carboxamide;formaldehyde;methanamine with MolForge

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Related Compounds

4-amino-N-[2-[7-(4-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]-3-[(E)-difluoromethyliminomethyl]-5-methoxybenzamide;formaldehyde;methanamine
CID 169241223
(3R)-7-(4-chloro-3-fluorophenyl)-5-[(1R)-2-[(3-chloro-8-methoxy-2-methylquinoline-6-carbonyl)amino]-1-cyclopropylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 164910717
3-chloro-N-[(2R)-2-[6-(5-chloro-2,4-difluorophenyl)-5-fluoro-2-pyridinyl]-2-cyclopropylethyl]-8-methoxy-2-methylquinoline-6-carboxamide
CID 169264875
3-fluoro-8-methoxy-2-methyl-N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]quinoline-6-carboxamide;formamide
CID 156872800
2-cyclopropyl-N-[1-[2-(difluoromethyl)-7-methoxyindazol-5-yl]ethenyl]-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine
CID 169240906
3-chloro-N-[2-[7-(5-chloro-2,4-difluorophenyl)-3-methyl-2,3,6,7-tetrahydrofuro[2,3-c]pyridin-5-yl]-2-phenylethyl]-8-methoxy-2-methylquinoline-6-carboxamide
CID 169234305
3-bromo-N-[2-[7-(5-chloro-2,4-difluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]-8-methoxyquinoline-6-carboxamide
CID 164910918
N-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-cyclopropylethyl]-2-fluoro-8-methoxy-3-methylquinoline-6-carboxamide
CID 166807792
(3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(2R)-1-[(3-chloro-8-methoxy-2-methylquinoline-6-carbonyl)amino]-3-hydroxypropan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 164910575
8-cyclopropyloxy-3-methyl-N-[3,3,3-trifluoro-2-[7-[4-fluoro-3-(1-fluoroethyl)phenyl]-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]cinnoline-6-carboxamide;formamide
CID 156872939
2-amino-N-[(2R)-2-cyclopropyl-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-4-(trifluoromethoxy)-1,3-benzoxazole-6-carboxamide
CID 166672038
7-(3-chloro-4-fluorophenyl)-5-[1-cyclopropyl-2-(methylamino)ethyl]-2,3-dihydrofuro[2,3-c]pyridine-3-carboxamide
CID 169241274

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[7-(4-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]-8-methoxy-2-methylquinoline-6-carboxamide;formaldehyde;methanamine?
The IUPAC name of 3-chloro-N-[2-[7-(4-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]-8-methoxy-2-methylquinoline-6-carboxamide;formaldehyde;methanamine (CID 164910750) is 3-chloro-N-[2-[7-(4-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]-8-methoxy-2-methylquinoline-6-carboxamide;formaldehyde;methanamine.
What is the SMILES notation for 3-chloro-N-[2-[7-(4-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]-8-methoxy-2-methylquinoline-6-carboxamide;formaldehyde;methanamine?
The canonical SMILES for 3-chloro-N-[2-[7-(4-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]-8-methoxy-2-methylquinoline-6-carboxamide;formaldehyde;methanamine is C=O.CN.COc1cc(C(=O)NCC(c2cc3c(c(-c4ccc(Cl)c(F)c4)n2)OCC3C)C2CC2)cc2cc(Cl)c(C)nc12.
What is the InChIKey of 3-chloro-N-[2-[7-(4-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]-8-methoxy-2-methylquinoline-6-carboxamide;formaldehyde;methanamine?
The InChIKey is GZTNFUHLESRIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28Cl2FN3O3.CH5N.CH2O/c1-15-14-40-30-21(15)12-26(37-29(30)18-6-7-23(32)25(34)10-18)22(17-4-5-17)13-35-31(38)20-8-19-9-24(33)16(2)36-28(19)27(11-20)39-3;2*1-2/h6-12,15,17,22H,4-5,13-14H2,1-3H3,(H,35,38);2H2,1H3;1H2.
What are the key properties of 3-chloro-N-[2-[7-(4-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]-8-methoxy-2-methylquinoline-6-carboxamide;formaldehyde;methanamine?
3-chloro-N-[2-[7-(4-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]-8-methoxy-2-methylquinoline-6-carboxamide;formaldehyde;methanamine has a molecular weight of 641.57 g/mol, XLogP of 6.87, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[7-(4-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]-8-methoxy-2-methylquinoline-6-carboxamide;formaldehyde;methanamine is sourced from PubChem (CID 164910750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).