6-fluoro-8-methyl-N-[2-(oxan-4-yl)propan-2-yl]-4-oxo-1H-quinoline-3-carboxamide

C19H23FN2O3 — CID 154799878

IUPAC6-fluoro-8-methyl-N-[2-(oxan-4-yl)propan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1cc(F)cc2c(=O)c(C(=O)NC(C)(C)C3CCOCC3)c[nH]c12
InChIInChI=1S/C19H23FN2O3/c1-11-8-13(20)9-14-16(11)21-10-15(17(14)23)18(24)22-19(2,3)12-4-6-25-7-5-12/h8-10,12H,4-7H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyHCVUGRKHDVCQRY-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.91
Rot. Bonds3

About 6-fluoro-8-methyl-N-[2-(oxan-4-yl)propan-2-yl]-4-oxo-1H-quinoline-3-carboxamide

6-fluoro-8-methyl-N-[2-(oxan-4-yl)propan-2-yl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 154799878) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is 6-fluoro-8-methyl-N-[2-(oxan-4-yl)propan-2-yl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-8-methyl-N-[2-(oxan-4-yl)propan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID154799878
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name6-fluoro-8-methyl-N-[2-(oxan-4-yl)propan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1cc(F)cc2c(=O)c(C(=O)NC(C)(C)C3CCOCC3)c[nH]c12
InChIInChI=1S/C19H23FN2O3/c1-11-8-13(20)9-14-16(11)21-10-15(17(14)23)18(24)22-19(2,3)12-4-6-25-7-5-12/h8-10,12H,4-7H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyHCVUGRKHDVCQRY-UHFFFAOYSA-N
XLogP2.91
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-8-methyl-N-[2-(oxan-4-yl)propan-2-yl]-4-oxo-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

6-fluoro-N,8-dimethyl-N-[(1R,2S)-2-methylsulfanylcyclopentyl]-4-oxo-1H-quinoline-3-carboxamide
CID 97235808
6-fluoro-3-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-8-methyl-1H-quinolin-4-one
CID 128988153
6-fluoro-8-methyl-3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one
CID 97003666
4-(difluoromethyl)-3-fluoro-N-[2-(oxan-4-yl)propan-2-yl]benzamide
CID 138023225
N-tert-butyl-8-chloro-6,7-dihydroxy-4-oxo-1H-quinoline-3-carboxamide
CID 118460150
6,8-difluoro-4-oxo-1H-quinoline-3-carboxylic acid
CID 5107860
6,7-difluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 11806724
6,8-difluoro-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 91639912
6,8-difluoro-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-quinoline-3-carboxamide
CID 167990058
N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-fluoro-2-methylbenzamide
CID 84592217
6-(5-fluoro-1-methylindol-3-yl)-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 166377678
6-(3-fluoro-4-methylanilino)-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133381848

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-methyl-N-[2-(oxan-4-yl)propan-2-yl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-fluoro-8-methyl-N-[2-(oxan-4-yl)propan-2-yl]-4-oxo-1H-quinoline-3-carboxamide (CID 154799878) is 6-fluoro-8-methyl-N-[2-(oxan-4-yl)propan-2-yl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-8-methyl-N-[2-(oxan-4-yl)propan-2-yl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-8-methyl-N-[2-(oxan-4-yl)propan-2-yl]-4-oxo-1H-quinoline-3-carboxamide is Cc1cc(F)cc2c(=O)c(C(=O)NC(C)(C)C3CCOCC3)c[nH]c12.
What is the InChIKey of 6-fluoro-8-methyl-N-[2-(oxan-4-yl)propan-2-yl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is HCVUGRKHDVCQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-11-8-13(20)9-14-16(11)21-10-15(17(14)23)18(24)22-19(2,3)12-4-6-25-7-5-12/h8-10,12H,4-7H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 6-fluoro-8-methyl-N-[2-(oxan-4-yl)propan-2-yl]-4-oxo-1H-quinoline-3-carboxamide?
6-fluoro-8-methyl-N-[2-(oxan-4-yl)propan-2-yl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 346.40 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-methyl-N-[2-(oxan-4-yl)propan-2-yl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 154799878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).