4-(4-ethylphenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C31H29FN2O2 — CID 2900847

IUPAC4-(4-ethylphenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCc1ccc(C2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CC(c2ccccc2)C3)cc1
InChIInChI=1S/C31H29FN2O2/c1-3-20-9-11-22(12-10-20)29-28(31(36)34-25-15-13-24(32)14-16-25)19(2)33-26-17-23(18-27(35)30(26)29)21-7-5-4-6-8-21/h4-16,23,29,33H,3,17-18H2,1-2H3,(H,34,36)
InChIKeyQFUWBHOZSNHTJE-UHFFFAOYSA-N
MW480.58 g/mol
LogP6.39
Rot. Bonds5

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

4-(4-ethylphenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 2900847) has the molecular formula C31H29FN2O2 and a molecular weight of 480.58 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(4-ethylphenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID2900847
Molecular FormulaC31H29FN2O2
Molecular Weight480.58 g/mol
Exact Mass480.22
IUPAC Name4-(4-ethylphenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCc1ccc(C2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CC(c2ccccc2)C3)cc1
InChIInChI=1S/C31H29FN2O2/c1-3-20-9-11-22(12-10-20)29-28(31(36)34-25-15-13-24(32)14-16-25)19(2)33-26-17-23(18-27(35)30(26)29)21-7-5-4-6-8-21/h4-16,23,29,33H,3,17-18H2,1-2H3,(H,34,36)
InChIKeyQFUWBHOZSNHTJE-UHFFFAOYSA-N
XLogP6.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.58
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 4-(4-ethylphenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 2900847) is 4-(4-ethylphenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-(4-ethylphenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-(4-ethylphenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CCc1ccc(C2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CC(c2ccccc2)C3)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is QFUWBHOZSNHTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29FN2O2/c1-3-20-9-11-22(12-10-20)29-28(31(36)34-25-15-13-24(32)14-16-25)19(2)33-26-17-23(18-27(35)30(26)29)21-7-5-4-6-8-21/h4-16,23,29,33H,3,17-18H2,1-2H3,(H,34,36).
What are the key properties of 4-(4-ethylphenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
4-(4-ethylphenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 480.58 g/mol, XLogP of 6.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 2900847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).