N-(5-acetamido-2-chlorophenyl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide

C21H19Cl2N3O3 — CID 43860473

IUPACN-(5-acetamido-2-chlorophenyl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2cc(NC(C)=O)ccc2Cl)c(=O)c2ccc(Cl)c(C)c21
InChIInChI=1S/C21H19Cl2N3O3/c1-4-26-10-15(20(28)14-6-8-16(22)11(2)19(14)26)21(29)25-18-9-13(24-12(3)27)5-7-17(18)23/h5-10H,4H2,1-3H3,(H,24,27)(H,25,29)
InChIKeyYEIHOOQQIHYLNY-UHFFFAOYSA-N
MW432.31 g/mol
LogP4.85
Rot. Bonds4

About N-(5-acetamido-2-chlorophenyl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide

N-(5-acetamido-2-chlorophenyl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 43860473) has the molecular formula C21H19Cl2N3O3 and a molecular weight of 432.31 g/mol. Its IUPAC name is N-(5-acetamido-2-chlorophenyl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-chlorophenyl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide
PubChem CID43860473
Molecular FormulaC21H19Cl2N3O3
Molecular Weight432.31 g/mol
Exact Mass431.08
IUPAC NameN-(5-acetamido-2-chlorophenyl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2cc(NC(C)=O)ccc2Cl)c(=O)c2ccc(Cl)c(C)c21
InChIInChI=1S/C21H19Cl2N3O3/c1-4-26-10-15(20(28)14-6-8-16(22)11(2)19(14)26)21(29)25-18-9-13(24-12(3)27)5-7-17(18)23/h5-10H,4H2,1-3H3,(H,24,27)(H,25,29)
InChIKeyYEIHOOQQIHYLNY-UHFFFAOYSA-N
XLogP4.85
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.31
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-N-(2-chlorophenyl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide
CID 43860427
7-chloro-1-ethyl-N-(2-fluorophenyl)-8-methyl-4-oxoquinoline-3-carboxamide
CID 43860436
7-chloro-N-(6-chloroquinolin-4-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide
CID 43860477
7-chloro-1-ethyl-N-(6-fluoro-2-methylquinolin-4-yl)-8-methyl-4-oxoquinoline-3-carboxamide
CID 43860486
7-chloro-1-ethyl-8-methyl-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide
CID 43860417
7-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide
CID 43860462
N-[3-[[2-(4-acetamidoanilino)acetyl]amino]-4-chlorophenyl]butanamide
CID 54809248
N-(3-chloro-2-methylphenyl)-7-methyl-4-oxo-1-propyl-1,8-naphthyridine-3-carboxamide
CID 53087125
N-(5-acetamido-2-chlorophenyl)-2-propylsulfonylbenzamide
CID 55916096
N-(2,4-dichlorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133604
N-[2-chloro-5-(propanoylamino)phenyl]-6,8-difluoro-4-oxo-1H-quinoline-3-carboxamide
CID 154788543
N-(2-bromophenyl)-6-chloro-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30132224

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-chlorophenyl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-(5-acetamido-2-chlorophenyl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide (CID 43860473) is N-(5-acetamido-2-chlorophenyl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-chlorophenyl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(5-acetamido-2-chlorophenyl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)Nc2cc(NC(C)=O)ccc2Cl)c(=O)c2ccc(Cl)c(C)c21.
What is the InChIKey of N-(5-acetamido-2-chlorophenyl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is YEIHOOQQIHYLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O3/c1-4-26-10-15(20(28)14-6-8-16(22)11(2)19(14)26)21(29)25-18-9-13(24-12(3)27)5-7-17(18)23/h5-10H,4H2,1-3H3,(H,24,27)(H,25,29).
What are the key properties of N-(5-acetamido-2-chlorophenyl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide?
N-(5-acetamido-2-chlorophenyl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 432.31 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-chlorophenyl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 43860473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).