N-[2-chloro-5-(propanoylamino)phenyl]-6,8-difluoro-4-oxo-1H-quinoline-3-carboxamide

C19H14ClF2N3O3 — CID 154788543

IUPACN-[2-chloro-5-(propanoylamino)phenyl]-6,8-difluoro-4-oxo-1H-quinoline-3-carboxamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)c2c[nH]c3c(F)cc(F)cc3c2=O)c1
InChIInChI=1S/C19H14ClF2N3O3/c1-2-16(26)24-10-3-4-13(20)15(7-10)25-19(28)12-8-23-17-11(18(12)27)5-9(21)6-14(17)22/h3-8H,2H2,1H3,(H,23,27)(H,24,26)(H,25,28)
InChIKeyYMMIKIKQSXNPTH-UHFFFAOYSA-N
MW405.79 g/mol
LogP4.06
Rot. Bonds4

About N-[2-chloro-5-(propanoylamino)phenyl]-6,8-difluoro-4-oxo-1H-quinoline-3-carboxamide

N-[2-chloro-5-(propanoylamino)phenyl]-6,8-difluoro-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 154788543) has the molecular formula C19H14ClF2N3O3 and a molecular weight of 405.79 g/mol. Its IUPAC name is N-[2-chloro-5-(propanoylamino)phenyl]-6,8-difluoro-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(propanoylamino)phenyl]-6,8-difluoro-4-oxo-1H-quinoline-3-carboxamide
PubChem CID154788543
Molecular FormulaC19H14ClF2N3O3
Molecular Weight405.79 g/mol
Exact Mass405.07
IUPAC NameN-[2-chloro-5-(propanoylamino)phenyl]-6,8-difluoro-4-oxo-1H-quinoline-3-carboxamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)c2c[nH]c3c(F)cc(F)cc3c2=O)c1
InChIInChI=1S/C19H14ClF2N3O3/c1-2-16(26)24-10-3-4-13(20)15(7-10)25-19(28)12-8-23-17-11(18(12)27)5-9(21)6-14(17)22/h3-8H,2H2,1H3,(H,23,27)(H,24,26)(H,25,28)
InChIKeyYMMIKIKQSXNPTH-UHFFFAOYSA-N
XLogP4.06
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.79
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-chloro-5-(propanoylamino)phenyl]-6,8-difluoro-4-oxo-1H-quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dibromo-N-[2-chloro-5-(propanoylamino)phenyl]-2-methoxybenzamide
CID 17117679
N-[2-chloro-5-(propanoylamino)phenyl]-2-phenoxybenzamide
CID 55799168
6,8-difluoro-4-oxo-1H-quinoline-3-carboxylic acid
CID 5107860
3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide
CID 43701444
N-[2-chloro-5-(propanoylamino)phenyl]quinoline-4-carboxamide
CID 171686511
N-[2-chloro-5-(propanoylamino)phenyl]-4-ethylbenzamide
CID 2995153
N-[2-chloro-5-(propanoylamino)phenyl]-2-nitrobenzamide
CID 895181
6,8-difluoro-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-quinoline-3-carboxamide
CID 167990058
4-bromo-N-[2-chloro-5-(propanoylamino)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 1255864
N-(5-acetamido-2-methoxyphenyl)-8-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 51053181
N-(2-chloro-5-fluorophenyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717937
6-chloro-N-(3,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 17016539

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(propanoylamino)phenyl]-6,8-difluoro-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-chloro-5-(propanoylamino)phenyl]-6,8-difluoro-4-oxo-1H-quinoline-3-carboxamide (CID 154788543) is N-[2-chloro-5-(propanoylamino)phenyl]-6,8-difluoro-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(propanoylamino)phenyl]-6,8-difluoro-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-chloro-5-(propanoylamino)phenyl]-6,8-difluoro-4-oxo-1H-quinoline-3-carboxamide is CCC(=O)Nc1ccc(Cl)c(NC(=O)c2c[nH]c3c(F)cc(F)cc3c2=O)c1.
What is the InChIKey of N-[2-chloro-5-(propanoylamino)phenyl]-6,8-difluoro-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is YMMIKIKQSXNPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N3O3/c1-2-16(26)24-10-3-4-13(20)15(7-10)25-19(28)12-8-23-17-11(18(12)27)5-9(21)6-14(17)22/h3-8H,2H2,1H3,(H,23,27)(H,24,26)(H,25,28).
What are the key properties of N-[2-chloro-5-(propanoylamino)phenyl]-6,8-difluoro-4-oxo-1H-quinoline-3-carboxamide?
N-[2-chloro-5-(propanoylamino)phenyl]-6,8-difluoro-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 405.79 g/mol, XLogP of 4.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(propanoylamino)phenyl]-6,8-difluoro-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 154788543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).