7-chloro-1-ethyl-N-(6-fluoro-2-methylquinolin-4-yl)-8-methyl-4-oxoquinoline-3-carboxamide

C23H19ClFN3O2 — CID 43860486

IUPAC7-chloro-1-ethyl-N-(6-fluoro-2-methylquinolin-4-yl)-8-methyl-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2cc(C)nc3ccc(F)cc23)c(=O)c2ccc(Cl)c(C)c21
InChIInChI=1S/C23H19ClFN3O2/c1-4-28-11-17(22(29)15-6-7-18(24)13(3)21(15)28)23(30)27-20-9-12(2)26-19-8-5-14(25)10-16(19)20/h5-11H,4H2,1-3H3,(H,26,27,30)
InChIKeyHSIMWCSTNNCGQV-UHFFFAOYSA-N
MW423.88 g/mol
LogP5.23
Rot. Bonds3

About 7-chloro-1-ethyl-N-(6-fluoro-2-methylquinolin-4-yl)-8-methyl-4-oxoquinoline-3-carboxamide

7-chloro-1-ethyl-N-(6-fluoro-2-methylquinolin-4-yl)-8-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 43860486) has the molecular formula C23H19ClFN3O2 and a molecular weight of 423.88 g/mol. Its IUPAC name is 7-chloro-1-ethyl-N-(6-fluoro-2-methylquinolin-4-yl)-8-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name7-chloro-1-ethyl-N-(6-fluoro-2-methylquinolin-4-yl)-8-methyl-4-oxoquinoline-3-carboxamide
PubChem CID43860486
Molecular FormulaC23H19ClFN3O2
Molecular Weight423.88 g/mol
Exact Mass423.11
IUPAC Name7-chloro-1-ethyl-N-(6-fluoro-2-methylquinolin-4-yl)-8-methyl-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2cc(C)nc3ccc(F)cc23)c(=O)c2ccc(Cl)c(C)c21
InChIInChI=1S/C23H19ClFN3O2/c1-4-28-11-17(22(29)15-6-7-18(24)13(3)21(15)28)23(30)27-20-9-12(2)26-19-8-5-14(25)10-16(19)20/h5-11H,4H2,1-3H3,(H,26,27,30)
InChIKeyHSIMWCSTNNCGQV-UHFFFAOYSA-N
XLogP5.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.88
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-N-(6-chloroquinolin-4-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide
CID 43860477
7-chloro-1-ethyl-N-(2-fluorophenyl)-8-methyl-4-oxoquinoline-3-carboxamide
CID 43860436
7-chloro-N-(2-chlorophenyl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide
CID 43860427
N-(5-acetamido-2-chlorophenyl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide
CID 43860473
7-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide
CID 43860462
7-chloro-1-ethyl-8-methyl-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide
CID 43860417
1-ethyl-N-(5-fluoro-2-methylphenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 53087079
ethyl 4-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]-2-methylquinoline-6-carboxylate
CID 17016316
N-(2,3-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850888
N-(2,4-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850917
1-ethyl-N-(2-fluorophenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 859264
N-(3-chloro-2-methylphenyl)-7-methyl-4-oxo-1-propyl-1,8-naphthyridine-3-carboxamide
CID 53087125

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-ethyl-N-(6-fluoro-2-methylquinolin-4-yl)-8-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of 7-chloro-1-ethyl-N-(6-fluoro-2-methylquinolin-4-yl)-8-methyl-4-oxoquinoline-3-carboxamide (CID 43860486) is 7-chloro-1-ethyl-N-(6-fluoro-2-methylquinolin-4-yl)-8-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 7-chloro-1-ethyl-N-(6-fluoro-2-methylquinolin-4-yl)-8-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 7-chloro-1-ethyl-N-(6-fluoro-2-methylquinolin-4-yl)-8-methyl-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)Nc2cc(C)nc3ccc(F)cc23)c(=O)c2ccc(Cl)c(C)c21.
What is the InChIKey of 7-chloro-1-ethyl-N-(6-fluoro-2-methylquinolin-4-yl)-8-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is HSIMWCSTNNCGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O2/c1-4-28-11-17(22(29)15-6-7-18(24)13(3)21(15)28)23(30)27-20-9-12(2)26-19-8-5-14(25)10-16(19)20/h5-11H,4H2,1-3H3,(H,26,27,30).
What are the key properties of 7-chloro-1-ethyl-N-(6-fluoro-2-methylquinolin-4-yl)-8-methyl-4-oxoquinoline-3-carboxamide?
7-chloro-1-ethyl-N-(6-fluoro-2-methylquinolin-4-yl)-8-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 423.88 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-ethyl-N-(6-fluoro-2-methylquinolin-4-yl)-8-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 43860486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).