4-(4-chlorophenyl)-N-(2,4-difluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C23H19ClF2N2O2 — CID 2900777

IUPAC4-(4-chlorophenyl)-N-(2,4-difluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(F)cc2F)C(c2ccc(Cl)cc2)C2=C(CCCC2=O)N1
InChIInChI=1S/C23H19ClF2N2O2/c1-12-20(23(30)28-17-10-9-15(25)11-16(17)26)21(13-5-7-14(24)8-6-13)22-18(27-12)3-2-4-19(22)29/h5-11,21,27H,2-4H2,1H3,(H,28,30)
InChIKeyPHUCGVPECAHFDE-UHFFFAOYSA-N
MW428.87 g/mol
LogP5.22
Rot. Bonds3

About 4-(4-chlorophenyl)-N-(2,4-difluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

4-(4-chlorophenyl)-N-(2,4-difluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 2900777) has the molecular formula C23H19ClF2N2O2 and a molecular weight of 428.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(2,4-difluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(2,4-difluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID2900777
Molecular FormulaC23H19ClF2N2O2
Molecular Weight428.87 g/mol
Exact Mass428.11
IUPAC Name4-(4-chlorophenyl)-N-(2,4-difluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(F)cc2F)C(c2ccc(Cl)cc2)C2=C(CCCC2=O)N1
InChIInChI=1S/C23H19ClF2N2O2/c1-12-20(23(30)28-17-10-9-15(25)11-16(17)26)21(13-5-7-14(24)8-6-13)22-18(27-12)3-2-4-19(22)29/h5-11,21,27H,2-4H2,1H3,(H,28,30)
InChIKeyPHUCGVPECAHFDE-UHFFFAOYSA-N
XLogP5.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.87
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(2,4-difluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(2,4-difluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 2900777) is 4-(4-chlorophenyl)-N-(2,4-difluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(2,4-difluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(2,4-difluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2ccc(F)cc2F)C(c2ccc(Cl)cc2)C2=C(CCCC2=O)N1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(2,4-difluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is PHUCGVPECAHFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF2N2O2/c1-12-20(23(30)28-17-10-9-15(25)11-16(17)26)21(13-5-7-14(24)8-6-13)22-18(27-12)3-2-4-19(22)29/h5-11,21,27H,2-4H2,1H3,(H,28,30).
What are the key properties of 4-(4-chlorophenyl)-N-(2,4-difluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
4-(4-chlorophenyl)-N-(2,4-difluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 428.87 g/mol, XLogP of 5.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(2,4-difluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 2900777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).