N-(1-amino-2-methylpropan-2-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride

C17H23Cl2N3O — CID 119522890

IUPACN-(1-amino-2-methylpropan-2-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride
SMILESCC(C)(CN)NC(=O)c1cc(C2CC2)nc2ccccc12.Cl.Cl
InChIInChI=1S/C17H21N3O.2ClH/c1-17(2,10-18)20-16(21)13-9-15(11-7-8-11)19-14-6-4-3-5-12(13)14;;/h3-6,9,11H,7-8,10,18H2,1-2H3,(H,20,21);2*1H
InChIKeyGKHNXPXHNHJHSZ-UHFFFAOYSA-N
MW356.30 g/mol
LogP3.42
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride

N-(1-amino-2-methylpropan-2-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride (PubChem CID 119522890) has the molecular formula C17H23Cl2N3O and a molecular weight of 356.30 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride
PubChem CID119522890
Molecular FormulaC17H23Cl2N3O
Molecular Weight356.30 g/mol
Exact Mass355.12
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride
SMILESCC(C)(CN)NC(=O)c1cc(C2CC2)nc2ccccc12.Cl.Cl
InChIInChI=1S/C17H21N3O.2ClH/c1-17(2,10-18)20-16(21)13-9-15(11-7-8-11)19-14-6-4-3-5-12(13)14;;/h3-6,9,11H,7-8,10,18H2,1-2H3,(H,20,21);2*1H
InChIKeyGKHNXPXHNHJHSZ-UHFFFAOYSA-N
XLogP3.42
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-methylquinoline-4-carboxamide
CID 63193778
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-cyclopropylquinoline-4-carboxamide
CID 60557838
N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-N-methylquinoline-4-carboxamide;dihydrochloride
CID 119654354
2-cyclopentylquinoline-4-carbohydrazide
CID 5270704
N-(1-amino-2-methylpropan-2-yl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119524902
2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide
CID 146154924
N-(1-amino-2-cyclopropylpropan-2-yl)-2-cyclopropyl-6-methylquinoline-4-carboxamide
CID 119575448
2-cyclopropylquinoline-4-carbonyl chloride;hydrochloride
CID 87334108
N'-(4-chlorobenzoyl)-2-cyclopropylquinoline-4-carbohydrazide
CID 9206846
2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 42537662
(2S)-2-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-methylbutanoic acid
CID 119360414
N-(1-amino-2-methylpropan-2-yl)naphthalene-1-carboxamide;hydrochloride
CID 119522938

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride (CID 119522890) is N-(1-amino-2-methylpropan-2-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride is CC(C)(CN)NC(=O)c1cc(C2CC2)nc2ccccc12.Cl.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride?
The InChIKey is GKHNXPXHNHJHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O.2ClH/c1-17(2,10-18)20-16(21)13-9-15(11-7-8-11)19-14-6-4-3-5-12(13)14;;/h3-6,9,11H,7-8,10,18H2,1-2H3,(H,20,21);2*1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride?
N-(1-amino-2-methylpropan-2-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride has a molecular weight of 356.30 g/mol, XLogP of 3.42, 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-methylpropan-2-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119522890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).