N-[3-(4-chlorophenyl)-4-oxo-1-propan-2-ylquinolin-2-yl]furan-2-carboxamide

C23H19ClN2O3 — CID 16957135

IUPACN-[3-(4-chlorophenyl)-4-oxo-1-propan-2-ylquinolin-2-yl]furan-2-carboxamide
SMILESCC(C)n1c(NC(=O)c2ccco2)c(-c2ccc(Cl)cc2)c(=O)c2ccccc21
InChIInChI=1S/C23H19ClN2O3/c1-14(2)26-18-7-4-3-6-17(18)21(27)20(15-9-11-16(24)12-10-15)22(26)25-23(28)19-8-5-13-29-19/h3-14H,1-2H3,(H,25,28)
InChIKeyXRQVULNGXBIHSL-UHFFFAOYSA-N
MW406.87 g/mol
LogP5.75
Rot. Bonds4

About N-[3-(4-chlorophenyl)-4-oxo-1-propan-2-ylquinolin-2-yl]furan-2-carboxamide

N-[3-(4-chlorophenyl)-4-oxo-1-propan-2-ylquinolin-2-yl]furan-2-carboxamide (PubChem CID 16957135) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-4-oxo-1-propan-2-ylquinolin-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-4-oxo-1-propan-2-ylquinolin-2-yl]furan-2-carboxamide
PubChem CID16957135
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC NameN-[3-(4-chlorophenyl)-4-oxo-1-propan-2-ylquinolin-2-yl]furan-2-carboxamide
SMILESCC(C)n1c(NC(=O)c2ccco2)c(-c2ccc(Cl)cc2)c(=O)c2ccccc21
InChIInChI=1S/C23H19ClN2O3/c1-14(2)26-18-7-4-3-6-17(18)21(27)20(15-9-11-16(24)12-10-15)22(26)25-23(28)19-8-5-13-29-19/h3-14H,1-2H3,(H,25,28)
InChIKeyXRQVULNGXBIHSL-UHFFFAOYSA-N
XLogP5.75
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.87
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)-4-(4-chlorophenyl)-6-methyl-5-oxopyridazin-3-yl]furan-2-carboxamide
CID 2033424
N-[6-chloro-3-(4-methylphenyl)-4-oxochromen-2-yl]furan-2-carboxamide
CID 4895274
N-[2-(3-chlorophenyl)-6-methyl-4-(4-methylphenyl)-5-oxopyridazin-3-yl]furan-2-carboxamide
CID 2033226
N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)furan-2-carboxamide
CID 22433465
N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]furan-2-carboxamide
CID 46267588
N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-propan-2-ylpyrrol-2-yl]furan-2-carboxamide
CID 42569369
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 6459013
N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701
N-[4-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]furan-2-carboxamide
CID 1015757
[2-(4-chloroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575614
N-[4-chloro-2-(naphthalen-1-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 991449
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 722967

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-4-oxo-1-propan-2-ylquinolin-2-yl]furan-2-carboxamide?
The IUPAC name of N-[3-(4-chlorophenyl)-4-oxo-1-propan-2-ylquinolin-2-yl]furan-2-carboxamide (CID 16957135) is N-[3-(4-chlorophenyl)-4-oxo-1-propan-2-ylquinolin-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-4-oxo-1-propan-2-ylquinolin-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-4-oxo-1-propan-2-ylquinolin-2-yl]furan-2-carboxamide is CC(C)n1c(NC(=O)c2ccco2)c(-c2ccc(Cl)cc2)c(=O)c2ccccc21.
What is the InChIKey of N-[3-(4-chlorophenyl)-4-oxo-1-propan-2-ylquinolin-2-yl]furan-2-carboxamide?
The InChIKey is XRQVULNGXBIHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c1-14(2)26-18-7-4-3-6-17(18)21(27)20(15-9-11-16(24)12-10-15)22(26)25-23(28)19-8-5-13-29-19/h3-14H,1-2H3,(H,25,28).
What are the key properties of N-[3-(4-chlorophenyl)-4-oxo-1-propan-2-ylquinolin-2-yl]furan-2-carboxamide?
N-[3-(4-chlorophenyl)-4-oxo-1-propan-2-ylquinolin-2-yl]furan-2-carboxamide has a molecular weight of 406.87 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-4-oxo-1-propan-2-ylquinolin-2-yl]furan-2-carboxamide is sourced from PubChem (CID 16957135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).