N-(1-amino-2-cyclopropylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride

C17H22Cl2FN3O — CID 119573824

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride
SMILESCc1nc2cc(F)ccc2cc1C(=O)NC(C)(CN)C1CC1.Cl.Cl
InChIInChI=1S/C17H20FN3O.2ClH/c1-10-14(7-11-3-6-13(18)8-15(11)20-10)16(22)21-17(2,9-19)12-4-5-12;;/h3,6-8,12H,4-5,9,19H2,1-2H3,(H,21,22);2*1H
InChIKeyVZLMRBMVOQSUFB-UHFFFAOYSA-N
MW374.29 g/mol
LogP3.38
Rot. Bonds4

About N-(1-amino-2-cyclopropylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride (PubChem CID 119573824) has the molecular formula C17H22Cl2FN3O and a molecular weight of 374.29 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride
PubChem CID119573824
Molecular FormulaC17H22Cl2FN3O
Molecular Weight374.29 g/mol
Exact Mass373.11
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride
SMILESCc1nc2cc(F)ccc2cc1C(=O)NC(C)(CN)C1CC1.Cl.Cl
InChIInChI=1S/C17H20FN3O.2ClH/c1-10-14(7-11-3-6-13(18)8-15(11)20-10)16(22)21-17(2,9-19)12-4-5-12;;/h3,6-8,12H,4-5,9,19H2,1-2H3,(H,21,22);2*1H
InChIKeyVZLMRBMVOQSUFB-UHFFFAOYSA-N
XLogP3.38
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.29
LogP ≤ 53.38
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-2,4-dimethylpentan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide
CID 119598659
N-(1-amino-2-cyclopropylpropan-2-yl)-5-fluoro-2-nitrobenzamide;hydrochloride
CID 119574662
N-[(2S)-1-aminopropan-2-yl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 120504965
7-fluoro-2-methyl-N-(4-methylcyclohexyl)quinoline-3-carboxamide
CID 17469585
N-(2-amino-2-ethylbutyl)-7-fluoro-2-methylquinoline-3-carboxamide
CID 119641458
N-(1-amino-2-cyclopropylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride
CID 119572423
N-(1-amino-2-cyclopropylpropan-2-yl)-7-chloroquinoline-2-carboxamide
CID 119573656
N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride
CID 119574595
N-[3-[(1-amino-2-cyclopropylpropan-2-yl)amino]-3-oxopropyl]-2-bromo-5-fluorobenzamide;hydrochloride
CID 119574328
N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-difluoro-2-iodobenzamide
CID 119573143
N-(1-amino-2-cyclopropylpropan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119575617

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride (CID 119573824) is N-(1-amino-2-cyclopropylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride is Cc1nc2cc(F)ccc2cc1C(=O)NC(C)(CN)C1CC1.Cl.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride?
The InChIKey is VZLMRBMVOQSUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O.2ClH/c1-10-14(7-11-3-6-13(18)8-15(11)20-10)16(22)21-17(2,9-19)12-4-5-12;;/h3,6-8,12H,4-5,9,19H2,1-2H3,(H,21,22);2*1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride has a molecular weight of 374.29 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119573824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).