N-(1-amino-2-methylpropan-2-yl)-7-chloroquinoline-2-carboxamide;dihydrochloride

C14H18Cl3N3O — CID 119522739

IUPACN-(1-amino-2-methylpropan-2-yl)-7-chloroquinoline-2-carboxamide;dihydrochloride
SMILESCC(C)(CN)NC(=O)c1ccc2ccc(Cl)cc2n1.Cl.Cl
InChIInChI=1S/C14H16ClN3O.2ClH/c1-14(2,8-16)18-13(19)11-6-4-9-3-5-10(15)7-12(9)17-11;;/h3-7H,8,16H2,1-2H3,(H,18,19);2*1H
InChIKeySIDYQVFQMZBWQQ-UHFFFAOYSA-N
MW350.68 g/mol
LogP3.20
Rot. Bonds3

About N-(1-amino-2-methylpropan-2-yl)-7-chloroquinoline-2-carboxamide;dihydrochloride

N-(1-amino-2-methylpropan-2-yl)-7-chloroquinoline-2-carboxamide;dihydrochloride (PubChem CID 119522739) has the molecular formula C14H18Cl3N3O and a molecular weight of 350.68 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-7-chloroquinoline-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-7-chloroquinoline-2-carboxamide;dihydrochloride
PubChem CID119522739
Molecular FormulaC14H18Cl3N3O
Molecular Weight350.68 g/mol
Exact Mass349.05
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-7-chloroquinoline-2-carboxamide;dihydrochloride
SMILESCC(C)(CN)NC(=O)c1ccc2ccc(Cl)cc2n1.Cl.Cl
InChIInChI=1S/C14H16ClN3O.2ClH/c1-14(2,8-16)18-13(19)11-6-4-9-3-5-10(15)7-12(9)17-11;;/h3-7H,8,16H2,1-2H3,(H,18,19);2*1H
InChIKeySIDYQVFQMZBWQQ-UHFFFAOYSA-N
XLogP3.20
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.68
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-7-chloroquinoline-2-carboxamide
CID 119573656
2-(7-chloroquinolin-2-yl)-2-methylpropan-1-amine
CID 84627975
7-chloro-N-cyclopentylquinoline-2-carboxamide
CID 110490278
2-[(7-chloroquinoline-2-carbonyl)amino]propanoic acid
CID 110490256
7-chloro-N-(3-methoxypropyl)quinoline-2-carboxamide
CID 110490274
N-(1-amino-2-methylpropan-2-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119523001
4-[(7-chloroquinoline-2-carbonyl)amino]pentanoic acid
CID 120534754
N-(1-amino-2-methylpropan-2-yl)-1H-pyrrole-3-carboxamide;hydrochloride
CID 130650761
7-chloro-N,N-diethylquinoline-2-carboxamide
CID 110490272
N-(3-amino-2,2-dimethylpropyl)quinoline-2-carboxamide
CID 115365626
N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride
CID 119522928
N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 119521772

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-7-chloroquinoline-2-carboxamide;dihydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-7-chloroquinoline-2-carboxamide;dihydrochloride (CID 119522739) is N-(1-amino-2-methylpropan-2-yl)-7-chloroquinoline-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-7-chloroquinoline-2-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-7-chloroquinoline-2-carboxamide;dihydrochloride is CC(C)(CN)NC(=O)c1ccc2ccc(Cl)cc2n1.Cl.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-7-chloroquinoline-2-carboxamide;dihydrochloride?
The InChIKey is SIDYQVFQMZBWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O.2ClH/c1-14(2,8-16)18-13(19)11-6-4-9-3-5-10(15)7-12(9)17-11;;/h3-7H,8,16H2,1-2H3,(H,18,19);2*1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-7-chloroquinoline-2-carboxamide;dihydrochloride?
N-(1-amino-2-methylpropan-2-yl)-7-chloroquinoline-2-carboxamide;dihydrochloride has a molecular weight of 350.68 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-7-chloroquinoline-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119522739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).