7-[2-fluoro-4-(propan-2-ylamino)phenyl]-8-methyl-2-oxo-N-propan-2-yl-1H-quinoline-3-carboxamide

C23H26FN3O2 — CID 118096586

IUPAC7-[2-fluoro-4-(propan-2-ylamino)phenyl]-8-methyl-2-oxo-N-propan-2-yl-1H-quinoline-3-carboxamide
SMILESCc1c(-c2ccc(NC(C)C)cc2F)ccc2cc(C(=O)NC(C)C)c(=O)[nH]c12
InChIInChI=1S/C23H26FN3O2/c1-12(2)25-16-7-9-18(20(24)11-16)17-8-6-15-10-19(22(28)26-13(3)4)23(29)27-21(15)14(17)5/h6-13,25H,1-5H3,(H,26,28)(H,27,29)
InChIKeyNUCVQRSPTDTBCZ-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.60
Rot. Bonds5

About 7-[2-fluoro-4-(propan-2-ylamino)phenyl]-8-methyl-2-oxo-N-propan-2-yl-1H-quinoline-3-carboxamide

7-[2-fluoro-4-(propan-2-ylamino)phenyl]-8-methyl-2-oxo-N-propan-2-yl-1H-quinoline-3-carboxamide (PubChem CID 118096586) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 7-[2-fluoro-4-(propan-2-ylamino)phenyl]-8-methyl-2-oxo-N-propan-2-yl-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name7-[2-fluoro-4-(propan-2-ylamino)phenyl]-8-methyl-2-oxo-N-propan-2-yl-1H-quinoline-3-carboxamide
PubChem CID118096586
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name7-[2-fluoro-4-(propan-2-ylamino)phenyl]-8-methyl-2-oxo-N-propan-2-yl-1H-quinoline-3-carboxamide
SMILESCc1c(-c2ccc(NC(C)C)cc2F)ccc2cc(C(=O)NC(C)C)c(=O)[nH]c12
InChIInChI=1S/C23H26FN3O2/c1-12(2)25-16-7-9-18(20(24)11-16)17-8-6-15-10-19(22(28)26-13(3)4)23(29)27-21(15)14(17)5/h6-13,25H,1-5H3,(H,26,28)(H,27,29)
InChIKeyNUCVQRSPTDTBCZ-UHFFFAOYSA-N
XLogP4.60
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 7-[2-fluoro-4-(propan-2-ylamino)phenyl]-8-methyl-2-oxo-N-propan-2-yl-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

(E)-3-[4-[2-fluoro-4-(propan-2-ylamino)phenyl]-2,5-dimethylphenyl]-2-methyl-N-propan-2-ylprop-2-enamide
CID 59031254
(E)-2-fluoro-3-[4-[2-fluoro-4-(propan-2-ylamino)phenyl]-2,5-dimethylphenyl]prop-2-enoic acid
CID 59031612
6-(4-chlorophenyl)-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide
CID 66497750
2,5-dimethyl-N-propan-2-yl-1H-pyrrole-3-carboxamide
CID 110766101
7-chloro-8-methyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 6501545
6-(difluoromethyl)-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide;6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 158741537
N-tert-butyl-7-methoxy-2-oxo-8-[2-oxo-2-(propan-2-ylamino)ethoxy]-1H-quinoline-3-carboxamide
CID 142970240
(2R)-2-[[2-fluoro-3-[4-[2-fluoro-4-(propan-2-ylamino)phenyl]-2,5-dimethoxyphenyl]prop-2-enoyl]amino]propanoic acid
CID 90769494
N-tert-butyl-8-hydroxy-7-methoxy-2-oxo-1H-quinoline-3-carboxamide
CID 142970056
(5R)-5-(4-methylanilino)-2-oxo-N-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 41042316
2-fluoro-3,4-dimethyl-N-propan-2-ylbenzamide
CID 130223984
7-chloro-N-(1-methylcyclopentyl)-2-oxo-1H-quinoline-3-carboxamide;methoxymethane
CID 142970241

Frequently Asked Questions

What is the IUPAC name of 7-[2-fluoro-4-(propan-2-ylamino)phenyl]-8-methyl-2-oxo-N-propan-2-yl-1H-quinoline-3-carboxamide?
The IUPAC name of 7-[2-fluoro-4-(propan-2-ylamino)phenyl]-8-methyl-2-oxo-N-propan-2-yl-1H-quinoline-3-carboxamide (CID 118096586) is 7-[2-fluoro-4-(propan-2-ylamino)phenyl]-8-methyl-2-oxo-N-propan-2-yl-1H-quinoline-3-carboxamide.
What is the SMILES notation for 7-[2-fluoro-4-(propan-2-ylamino)phenyl]-8-methyl-2-oxo-N-propan-2-yl-1H-quinoline-3-carboxamide?
The canonical SMILES for 7-[2-fluoro-4-(propan-2-ylamino)phenyl]-8-methyl-2-oxo-N-propan-2-yl-1H-quinoline-3-carboxamide is Cc1c(-c2ccc(NC(C)C)cc2F)ccc2cc(C(=O)NC(C)C)c(=O)[nH]c12.
What is the InChIKey of 7-[2-fluoro-4-(propan-2-ylamino)phenyl]-8-methyl-2-oxo-N-propan-2-yl-1H-quinoline-3-carboxamide?
The InChIKey is NUCVQRSPTDTBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-12(2)25-16-7-9-18(20(24)11-16)17-8-6-15-10-19(22(28)26-13(3)4)23(29)27-21(15)14(17)5/h6-13,25H,1-5H3,(H,26,28)(H,27,29).
What are the key properties of 7-[2-fluoro-4-(propan-2-ylamino)phenyl]-8-methyl-2-oxo-N-propan-2-yl-1H-quinoline-3-carboxamide?
7-[2-fluoro-4-(propan-2-ylamino)phenyl]-8-methyl-2-oxo-N-propan-2-yl-1H-quinoline-3-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 4.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-fluoro-4-(propan-2-ylamino)phenyl]-8-methyl-2-oxo-N-propan-2-yl-1H-quinoline-3-carboxamide is sourced from PubChem (CID 118096586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).