N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-(4-fluorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide

C26H25FN2O3 — CID 92881284

IUPACN-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-(4-fluorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESCc1ccc([C@@H](C)NC(=O)c2cc3c(n(-c4ccc(F)cc4)c2=O)CCCC3=O)cc1C
InChIInChI=1S/C26H25FN2O3/c1-15-7-8-18(13-16(15)2)17(3)28-25(31)22-14-21-23(5-4-6-24(21)30)29(26(22)32)20-11-9-19(27)10-12-20/h7-14,17H,4-6H2,1-3H3,(H,28,31)/t17-/m1/s1
InChIKeyDSIFDYUJJFPFQT-QGZVFWFLSA-N
MW432.50 g/mol
LogP4.60
Rot. Bonds4

About N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-(4-fluorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide

N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-(4-fluorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide (PubChem CID 92881284) has the molecular formula C26H25FN2O3 and a molecular weight of 432.50 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-(4-fluorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-(4-fluorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
PubChem CID92881284
Molecular FormulaC26H25FN2O3
Molecular Weight432.50 g/mol
Exact Mass432.18
IUPAC NameN-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-(4-fluorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESCc1ccc([C@@H](C)NC(=O)c2cc3c(n(-c4ccc(F)cc4)c2=O)CCCC3=O)cc1C
InChIInChI=1S/C26H25FN2O3/c1-15-7-8-18(13-16(15)2)17(3)28-25(31)22-14-21-23(5-4-6-24(21)30)29(26(22)32)20-11-9-19(27)10-12-20/h7-14,17H,4-6H2,1-3H3,(H,28,31)/t17-/m1/s1
InChIKeyDSIFDYUJJFPFQT-QGZVFWFLSA-N
XLogP4.60
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-2,5-dioxo-N-[(1R)-1-phenylethyl]-7,8-dihydro-6H-quinoline-3-carboxamide
CID 92881280
N-(4-methylphenyl)-2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carboxamide
CID 46382827
N-butan-2-yl-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-7,8-dihydro-6H-quinoline-3-carboxamide
CID 46382852
N-[(1R)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide
CID 126444591
2,5-dioxo-N,1-diphenyl-7,8-dihydro-6H-quinoline-3-carboxamide
CID 2054310
N-[1-(3,4-dimethylphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 133230643
2-methyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one
CID 60723547
1-(4-chlorophenyl)-2,5-dioxo-N-phenacyl-7,8-dihydro-6H-quinoline-3-carboxamide
CID 23855524
4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-fluorobenzamide
CID 133262276
1-(4-methylphenyl)-3-(morpholine-4-carbonyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 1090180
N-[1-(3,4-dimethylphenyl)ethyl]-2-propan-2-yloxybenzamide
CID 132650471
2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carbonitrile
CID 46298433

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-(4-fluorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
The IUPAC name of N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-(4-fluorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide (CID 92881284) is N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-(4-fluorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-(4-fluorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-(4-fluorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide is Cc1ccc([C@@H](C)NC(=O)c2cc3c(n(-c4ccc(F)cc4)c2=O)CCCC3=O)cc1C.
What is the InChIKey of N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-(4-fluorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
The InChIKey is DSIFDYUJJFPFQT-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H25FN2O3/c1-15-7-8-18(13-16(15)2)17(3)28-25(31)22-14-21-23(5-4-6-24(21)30)29(26(22)32)20-11-9-19(27)10-12-20/h7-14,17H,4-6H2,1-3H3,(H,28,31)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-(4-fluorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-(4-fluorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide has a molecular weight of 432.50 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-(4-fluorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide is sourced from PubChem (CID 92881284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).