N-(2-cyclopropylpropan-2-yl)-2-(methylamino)quinoline-4-carboxamide

C17H21N3O — CID 103718280

IUPACN-(2-cyclopropylpropan-2-yl)-2-(methylamino)quinoline-4-carboxamide
SMILESCNc1cc(C(=O)NC(C)(C)C2CC2)c2ccccc2n1
InChIInChI=1S/C17H21N3O/c1-17(2,11-8-9-11)20-16(21)13-10-15(18-3)19-14-7-5-4-6-12(13)14/h4-7,10-11H,8-9H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyHQHQGFWDLIKQLT-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.19
Rot. Bonds4

About N-(2-cyclopropylpropan-2-yl)-2-(methylamino)quinoline-4-carboxamide

N-(2-cyclopropylpropan-2-yl)-2-(methylamino)quinoline-4-carboxamide (PubChem CID 103718280) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(2-cyclopropylpropan-2-yl)-2-(methylamino)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropylpropan-2-yl)-2-(methylamino)quinoline-4-carboxamide
PubChem CID103718280
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-(2-cyclopropylpropan-2-yl)-2-(methylamino)quinoline-4-carboxamide
SMILESCNc1cc(C(=O)NC(C)(C)C2CC2)c2ccccc2n1
InChIInChI=1S/C17H21N3O/c1-17(2,11-8-9-11)20-16(21)13-10-15(18-3)19-14-7-5-4-6-12(13)14/h4-7,10-11H,8-9H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyHQHQGFWDLIKQLT-UHFFFAOYSA-N
XLogP3.19
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclobutylethyl)-2-(methylamino)quinoline-4-carboxamide
CID 115769042
N-(2-cyclopropylpropan-2-yl)-6-(methylamino)pyridine-3-carboxamide
CID 114112366
2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 62165979
2-(methylamino)-N-(1-methylcyclopentyl)quinoline-4-carboxamide
CID 64688497
2-(ethylamino)-N-(2-methylbutan-2-yl)quinoline-4-carboxamide
CID 62173209
2-(methylamino)-N-piperidin-1-ylquinoline-4-carboxamide
CID 83016827
2-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]propanoic acid
CID 122058339
(3,4-dihydroxypyrrolidin-1-yl)-[2-(methylamino)quinolin-4-yl]methanone
CID 106673774
2-(methylamino)-N-(2-methylsulfinylethyl)quinoline-4-carboxamide
CID 115650076
2-(2-tert-butylsulfanylethylamino)-N-cyclopropylquinoline-4-carboxamide
CID 133275936
(3,4-dimethylpyrrolidin-1-yl)-[2-(methylamino)quinolin-4-yl]methanone
CID 79179423
N-(cyclopropylmethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide
CID 62181843

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropan-2-yl)-2-(methylamino)quinoline-4-carboxamide?
The IUPAC name of N-(2-cyclopropylpropan-2-yl)-2-(methylamino)quinoline-4-carboxamide (CID 103718280) is N-(2-cyclopropylpropan-2-yl)-2-(methylamino)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-cyclopropylpropan-2-yl)-2-(methylamino)quinoline-4-carboxamide?
The canonical SMILES for N-(2-cyclopropylpropan-2-yl)-2-(methylamino)quinoline-4-carboxamide is CNc1cc(C(=O)NC(C)(C)C2CC2)c2ccccc2n1.
What is the InChIKey of N-(2-cyclopropylpropan-2-yl)-2-(methylamino)quinoline-4-carboxamide?
The InChIKey is HQHQGFWDLIKQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-17(2,11-8-9-11)20-16(21)13-10-15(18-3)19-14-7-5-4-6-12(13)14/h4-7,10-11H,8-9H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of N-(2-cyclopropylpropan-2-yl)-2-(methylamino)quinoline-4-carboxamide?
N-(2-cyclopropylpropan-2-yl)-2-(methylamino)quinoline-4-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpropan-2-yl)-2-(methylamino)quinoline-4-carboxamide is sourced from PubChem (CID 103718280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).