N-(1-amino-2,4-dimethylpentan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide

C18H24FN3O — CID 119598659

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide
SMILESCc1nc2cc(F)ccc2cc1C(=O)NC(C)(CN)CC(C)C
InChIInChI=1S/C18H24FN3O/c1-11(2)9-18(4,10-20)22-17(23)15-7-13-5-6-14(19)8-16(13)21-12(15)3/h5-8,11H,9-10,20H2,1-4H3,(H,22,23)
InChIKeyZXJJLWKHHNANQL-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.18
Rot. Bonds5

About N-(1-amino-2,4-dimethylpentan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide

N-(1-amino-2,4-dimethylpentan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide (PubChem CID 119598659) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide
PubChem CID119598659
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide
SMILESCc1nc2cc(F)ccc2cc1C(=O)NC(C)(CN)CC(C)C
InChIInChI=1S/C18H24FN3O/c1-11(2)9-18(4,10-20)22-17(23)15-7-13-5-6-14(19)8-16(13)21-12(15)3/h5-8,11H,9-10,20H2,1-4H3,(H,22,23)
InChIKeyZXJJLWKHHNANQL-UHFFFAOYSA-N
XLogP3.18
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride
CID 119522928
N-(1-amino-2-cyclopropylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride
CID 119573824
N-[(2S)-1-aminopropan-2-yl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 120504965
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzamide
CID 81486385
N-(1-amino-2,4-dimethylpentan-2-yl)-2-chloro-4-fluorobenzamide;hydrochloride
CID 119600052
N-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoro-2-nitrobenzamide;hydrochloride
CID 119599327
N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119599305
N-(2-amino-2-ethylbutyl)-7-fluoro-2-methylquinoline-3-carboxamide
CID 119641458
N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbenzamide
CID 81487529
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-difluorobenzamide;hydrochloride
CID 119597433
N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 115309822
N-[4-(2,2-dimethylpropanoylamino)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 24641732

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide (CID 119598659) is N-(1-amino-2,4-dimethylpentan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide is Cc1nc2cc(F)ccc2cc1C(=O)NC(C)(CN)CC(C)C.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide?
The InChIKey is ZXJJLWKHHNANQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O/c1-11(2)9-18(4,10-20)22-17(23)15-7-13-5-6-14(19)8-16(13)21-12(15)3/h5-8,11H,9-10,20H2,1-4H3,(H,22,23).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 119598659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).