N-[4-(2,2-dimethylpropanoylamino)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide

C22H22FN3O2 — CID 24641732

IUPACN-[4-(2,2-dimethylpropanoylamino)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide
SMILESCc1nc2cc(F)ccc2cc1C(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C22H22FN3O2/c1-13-18(11-14-5-6-15(23)12-19(14)24-13)20(27)25-16-7-9-17(10-8-16)26-21(28)22(2,3)4/h5-12H,1-4H3,(H,25,27)(H,26,28)
InChIKeyXXNVXZOHTHAJFJ-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.92
Rot. Bonds3

About N-[4-(2,2-dimethylpropanoylamino)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide

N-[4-(2,2-dimethylpropanoylamino)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide (PubChem CID 24641732) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[4-(2,2-dimethylpropanoylamino)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,2-dimethylpropanoylamino)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide
PubChem CID24641732
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC NameN-[4-(2,2-dimethylpropanoylamino)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide
SMILESCc1nc2cc(F)ccc2cc1C(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C22H22FN3O2/c1-13-18(11-14-5-6-15(23)12-19(14)24-13)20(27)25-16-7-9-17(10-8-16)26-21(28)22(2,3)4/h5-12H,1-4H3,(H,25,27)(H,26,28)
InChIKeyXXNVXZOHTHAJFJ-UHFFFAOYSA-N
XLogP4.92
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-7-fluoro-2-methylquinoline-3-carboxamide
CID 46520271
N-[4-(difluoromethoxy)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 46520644
methyl N-[3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]phenyl]carbamate
CID 87025782
N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride
CID 119522928
methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]benzoate
CID 18126786
N-(3-fluorophenyl)-2-methylquinoline-3-carboxamide
CID 2140491
N-(3,5-difluorophenyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 34319138
2-chloro-N-(3,5-dimethylphenyl)-7-fluoroquinoline-3-carboxamide
CID 110299173
N-(2-amino-2-ethylbutyl)-7-fluoro-2-methylquinoline-3-carboxamide
CID 119641458
N-[(2S)-1-aminopropan-2-yl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 120504965
N-(1-amino-2,4-dimethylpentan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide
CID 119598659
N-(1-amino-2-cyclopropylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride
CID 119573824

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-dimethylpropanoylamino)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide?
The IUPAC name of N-[4-(2,2-dimethylpropanoylamino)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide (CID 24641732) is N-[4-(2,2-dimethylpropanoylamino)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-[4-(2,2-dimethylpropanoylamino)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-[4-(2,2-dimethylpropanoylamino)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide is Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1.
What is the InChIKey of N-[4-(2,2-dimethylpropanoylamino)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide?
The InChIKey is XXNVXZOHTHAJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-13-18(11-14-5-6-15(23)12-19(14)24-13)20(27)25-16-7-9-17(10-8-16)26-21(28)22(2,3)4/h5-12H,1-4H3,(H,25,27)(H,26,28).
What are the key properties of N-[4-(2,2-dimethylpropanoylamino)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide?
N-[4-(2,2-dimethylpropanoylamino)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-dimethylpropanoylamino)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 24641732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).