N-(6-fluoro-2-methylquinolin-4-yl)-2-methylpropanamide

C14H15FN2O — CID 39850982

IUPACN-(6-fluoro-2-methylquinolin-4-yl)-2-methylpropanamide
SMILESCc1cc(NC(=O)C(C)C)c2cc(F)ccc2n1
InChIInChI=1S/C14H15FN2O/c1-8(2)14(18)17-13-6-9(3)16-12-5-4-10(15)7-11(12)13/h4-8H,1-3H3,(H,16,17,18)
InChIKeyAJTGCONJRRGOIP-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.28
Rot. Bonds2

About N-(6-fluoro-2-methylquinolin-4-yl)-2-methylpropanamide

N-(6-fluoro-2-methylquinolin-4-yl)-2-methylpropanamide (PubChem CID 39850982) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is N-(6-fluoro-2-methylquinolin-4-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(6-fluoro-2-methylquinolin-4-yl)-2-methylpropanamide
PubChem CID39850982
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC NameN-(6-fluoro-2-methylquinolin-4-yl)-2-methylpropanamide
SMILESCc1cc(NC(=O)C(C)C)c2cc(F)ccc2n1
InChIInChI=1S/C14H15FN2O/c1-8(2)14(18)17-13-6-9(3)16-12-5-4-10(15)7-11(12)13/h4-8H,1-3H3,(H,16,17,18)
InChIKeyAJTGCONJRRGOIP-UHFFFAOYSA-N
XLogP3.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(6-fluoro-2-methylquinolin-4-yl)amino]propane-1,3-diol
CID 133368202
N-(2,2-difluoroethyl)-6-fluoro-2-methylquinolin-4-amine
CID 133368446
4-[(6-fluoro-2-methylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060187
3-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-2-methylquinolin-4-yl)propanamide
CID 39850954
N-(6-bromo-2-methylquinolin-4-yl)-3-fluorobenzamide
CID 39849351
1-cyclopentyl-2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethanol
CID 133394062
2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]-5-iodobenzoic acid
CID 108789589
1-[(6-fluoro-2-methylquinolin-4-yl)amino]pentan-2-ol
CID 133388853
6-fluoro-N-(2-hydroxypropyl)-2-methylquinoline-4-carboxamide
CID 110489253
propan-2-yl 4-[(6-fluoro-2-methylquinolin-4-yl)amino]piperidine-1-carboxylate
CID 133388898
N-(6-fluoro-2-methylquinolin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 39850616
N-(2-amino-5-fluorophenyl)-2-methylpropanamide
CID 63257469

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-methylquinolin-4-yl)-2-methylpropanamide?
The IUPAC name of N-(6-fluoro-2-methylquinolin-4-yl)-2-methylpropanamide (CID 39850982) is N-(6-fluoro-2-methylquinolin-4-yl)-2-methylpropanamide.
What is the SMILES notation for N-(6-fluoro-2-methylquinolin-4-yl)-2-methylpropanamide?
The canonical SMILES for N-(6-fluoro-2-methylquinolin-4-yl)-2-methylpropanamide is Cc1cc(NC(=O)C(C)C)c2cc(F)ccc2n1.
What is the InChIKey of N-(6-fluoro-2-methylquinolin-4-yl)-2-methylpropanamide?
The InChIKey is AJTGCONJRRGOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-8(2)14(18)17-13-6-9(3)16-12-5-4-10(15)7-11(12)13/h4-8H,1-3H3,(H,16,17,18).
What are the key properties of N-(6-fluoro-2-methylquinolin-4-yl)-2-methylpropanamide?
N-(6-fluoro-2-methylquinolin-4-yl)-2-methylpropanamide has a molecular weight of 246.28 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-methylquinolin-4-yl)-2-methylpropanamide is sourced from PubChem (CID 39850982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).