6-fluoro-N-(2-hydroxypropyl)-2-methylquinoline-4-carboxamide

C14H15FN2O2 — CID 110489253

IUPAC6-fluoro-N-(2-hydroxypropyl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCC(C)O)c2cc(F)ccc2n1
InChIInChI=1S/C14H15FN2O2/c1-8-5-12(14(19)16-7-9(2)18)11-6-10(15)3-4-13(11)17-8/h3-6,9,18H,7H2,1-2H3,(H,16,19)
InChIKeyPFSDAHVFUUQWKF-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.79
Rot. Bonds3

About 6-fluoro-N-(2-hydroxypropyl)-2-methylquinoline-4-carboxamide

6-fluoro-N-(2-hydroxypropyl)-2-methylquinoline-4-carboxamide (PubChem CID 110489253) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 6-fluoro-N-(2-hydroxypropyl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(2-hydroxypropyl)-2-methylquinoline-4-carboxamide
PubChem CID110489253
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name6-fluoro-N-(2-hydroxypropyl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCC(C)O)c2cc(F)ccc2n1
InChIInChI=1S/C14H15FN2O2/c1-8-5-12(14(19)16-7-9(2)18)11-6-10(15)3-4-13(11)17-8/h3-6,9,18H,7H2,1-2H3,(H,16,19)
InChIKeyPFSDAHVFUUQWKF-UHFFFAOYSA-N
XLogP1.79
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-2-methyl-N'-(2-phenylacetyl)quinoline-4-carbohydrazide
CID 4732359
6-fluoro-N'-(4-fluorobenzoyl)-2-methylquinoline-4-carbohydrazide
CID 4732337
6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42750288
2-cyclopropyl-6-fluoro-N-(4-hydroxy-2-methylpentyl)quinoline-4-carboxamide
CID 111470297
6-fluoro-2-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]quinoline-4-carboxamide
CID 131894201
N-[(2R,4S)-4-hydroxy-2-methylpentyl]-2-methylquinoline-4-carboxamide
CID 95775157
2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pentanedioic acid
CID 108789630
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,6-dimethylquinoline-4-carboxamide
CID 42907156
6-fluoro-2-methyl-N'-phenylquinoline-4-carbohydrazide
CID 4732291
N-[2-(diethylamino)propyl]-2,6-dimethylquinoline-4-carboxamide
CID 55675834
N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-methylquinoline-4-carboxamide
CID 42750300
methyl 3-(6-fluoro-2-methylquinolin-4-yl)-3-oxopropanoate
CID 82666021

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-hydroxypropyl)-2-methylquinoline-4-carboxamide?
The IUPAC name of 6-fluoro-N-(2-hydroxypropyl)-2-methylquinoline-4-carboxamide (CID 110489253) is 6-fluoro-N-(2-hydroxypropyl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-(2-hydroxypropyl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-N-(2-hydroxypropyl)-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NCC(C)O)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-N-(2-hydroxypropyl)-2-methylquinoline-4-carboxamide?
The InChIKey is PFSDAHVFUUQWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-8-5-12(14(19)16-7-9(2)18)11-6-10(15)3-4-13(11)17-8/h3-6,9,18H,7H2,1-2H3,(H,16,19).
What are the key properties of 6-fluoro-N-(2-hydroxypropyl)-2-methylquinoline-4-carboxamide?
6-fluoro-N-(2-hydroxypropyl)-2-methylquinoline-4-carboxamide has a molecular weight of 262.28 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-hydroxypropyl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 110489253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).