N-cyclopropyl-2-[methyl(2-methylprop-2-enyl)amino]quinoline-4-carboxamide

C18H21N3O — CID 133439197

IUPACN-cyclopropyl-2-[methyl(2-methylprop-2-enyl)amino]quinoline-4-carboxamide
SMILESC=C(C)CN(C)c1cc(C(=O)NC2CC2)c2ccccc2n1
InChIInChI=1S/C18H21N3O/c1-12(2)11-21(3)17-10-15(18(22)19-13-8-9-13)14-6-4-5-7-16(14)20-17/h4-7,10,13H,1,8-9,11H2,2-3H3,(H,19,22)
InChIKeyUQPRZIZOECANDY-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.14
Rot. Bonds5

About N-cyclopropyl-2-[methyl(2-methylprop-2-enyl)amino]quinoline-4-carboxamide

N-cyclopropyl-2-[methyl(2-methylprop-2-enyl)amino]quinoline-4-carboxamide (PubChem CID 133439197) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-cyclopropyl-2-[methyl(2-methylprop-2-enyl)amino]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[methyl(2-methylprop-2-enyl)amino]quinoline-4-carboxamide
PubChem CID133439197
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-cyclopropyl-2-[methyl(2-methylprop-2-enyl)amino]quinoline-4-carboxamide
SMILESC=C(C)CN(C)c1cc(C(=O)NC2CC2)c2ccccc2n1
InChIInChI=1S/C18H21N3O/c1-12(2)11-21(3)17-10-15(18(22)19-13-8-9-13)14-6-4-5-7-16(14)20-17/h4-7,10,13H,1,8-9,11H2,2-3H3,(H,19,22)
InChIKeyUQPRZIZOECANDY-UHFFFAOYSA-N
XLogP3.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-[methyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]quinoline-4-carboxamide
CID 71853945
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-cyclopropylquinoline-4-carboxamide
CID 112802320
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]quinoline-4-carboxylic acid
CID 43375386
2-[ethyl(2-methylprop-2-enyl)amino]quinoline-4-carboxylic acid
CID 43332286
2-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]propanoic acid
CID 122058339
N-cyclopropyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757672
N-(4-hydroxycyclohexyl)-2-phenylquinoline-4-carboxamide
CID 78767510
2-(2-tert-butylsulfanylethylamino)-N-cyclopropylquinoline-4-carboxamide
CID 133275936
N-cyclopropyl-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-4-carboxamide
CID 133486230
2-(dimethylamino)-N-ethylquinoline-4-carboxamide
CID 53016631
2-(2,4-dimethoxyphenyl)-N-[4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]cyclohexyl]quinoline-4-carboxamide
CID 3575528
2-(4-cyano-4-methylpentyl)sulfanyl-N-cyclopropylquinoline-4-carboxamide
CID 71864722

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[methyl(2-methylprop-2-enyl)amino]quinoline-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[methyl(2-methylprop-2-enyl)amino]quinoline-4-carboxamide (CID 133439197) is N-cyclopropyl-2-[methyl(2-methylprop-2-enyl)amino]quinoline-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[methyl(2-methylprop-2-enyl)amino]quinoline-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[methyl(2-methylprop-2-enyl)amino]quinoline-4-carboxamide is C=C(C)CN(C)c1cc(C(=O)NC2CC2)c2ccccc2n1.
What is the InChIKey of N-cyclopropyl-2-[methyl(2-methylprop-2-enyl)amino]quinoline-4-carboxamide?
The InChIKey is UQPRZIZOECANDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-12(2)11-21(3)17-10-15(18(22)19-13-8-9-13)14-6-4-5-7-16(14)20-17/h4-7,10,13H,1,8-9,11H2,2-3H3,(H,19,22).
What are the key properties of N-cyclopropyl-2-[methyl(2-methylprop-2-enyl)amino]quinoline-4-carboxamide?
N-cyclopropyl-2-[methyl(2-methylprop-2-enyl)amino]quinoline-4-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[methyl(2-methylprop-2-enyl)amino]quinoline-4-carboxamide is sourced from PubChem (CID 133439197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).