N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-N-methylquinoline-4-carboxamide;dihydrochloride

C19H27Cl2N3O — CID 119654354

IUPACN-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-N-methylquinoline-4-carboxamide;dihydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1cc(C2CC2)nc2ccccc12.Cl.Cl
InChIInChI=1S/C19H25N3O.2ClH/c1-19(2,11-20)12-22(3)18(23)15-10-17(13-8-9-13)21-16-7-5-4-6-14(15)16;;/h4-7,10,13H,8-9,11-12,20H2,1-3H3;2*1H
InChIKeyKKXDJNWBKIZYNV-UHFFFAOYSA-N
MW384.35 g/mol
LogP4.01
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-N-methylquinoline-4-carboxamide;dihydrochloride

N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-N-methylquinoline-4-carboxamide;dihydrochloride (PubChem CID 119654354) has the molecular formula C19H27Cl2N3O and a molecular weight of 384.35 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-N-methylquinoline-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-N-methylquinoline-4-carboxamide;dihydrochloride
PubChem CID119654354
Molecular FormulaC19H27Cl2N3O
Molecular Weight384.35 g/mol
Exact Mass383.15
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-N-methylquinoline-4-carboxamide;dihydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1cc(C2CC2)nc2ccccc12.Cl.Cl
InChIInChI=1S/C19H25N3O.2ClH/c1-19(2,11-20)12-22(3)18(23)15-10-17(13-8-9-13)21-16-7-5-4-6-14(15)16;;/h4-7,10,13H,8-9,11-12,20H2,1-3H3;2*1H
InChIKeyKKXDJNWBKIZYNV-UHFFFAOYSA-N
XLogP4.01
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide
CID 119654166
N-(3-amino-2,2-dimethylpropyl)-2-(4-methoxyphenyl)-N-methylquinoline-4-carboxamide;dihydrochloride
CID 119654263
N-(3-amino-2,2-dimethylpropyl)-2-(4-methoxyphenyl)-N-methylquinoline-4-carboxamide
CID 119654264
N-(1-amino-2-methylpropan-2-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride
CID 119522890
N-(3-amino-2,2-dimethylpropyl)-6-cyclopropyl-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119656768
N-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methyl-2-phenylquinoline-4-carboxamide;dihydrochloride
CID 119656995
N-cycloheptyl-2-cyclopropyl-N-methylquinoline-4-carboxamide
CID 55469564
2-cyclopropyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide
CID 119062230
2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylquinoline-4-carboxamide
CID 31363966
5-[[(2-cyclopropylquinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 120522952
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-cyclopropylquinoline-4-carboxamide
CID 60557838
2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-4-carboxamide
CID 31361414

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-N-methylquinoline-4-carboxamide;dihydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-N-methylquinoline-4-carboxamide;dihydrochloride (CID 119654354) is N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-N-methylquinoline-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-N-methylquinoline-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-N-methylquinoline-4-carboxamide;dihydrochloride is CN(CC(C)(C)CN)C(=O)c1cc(C2CC2)nc2ccccc12.Cl.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-N-methylquinoline-4-carboxamide;dihydrochloride?
The InChIKey is KKXDJNWBKIZYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O.2ClH/c1-19(2,11-20)12-22(3)18(23)15-10-17(13-8-9-13)21-16-7-5-4-6-14(15)16;;/h4-7,10,13H,8-9,11-12,20H2,1-3H3;2*1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-N-methylquinoline-4-carboxamide;dihydrochloride?
N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-N-methylquinoline-4-carboxamide;dihydrochloride has a molecular weight of 384.35 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-N-methylquinoline-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119654354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).