N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide

C17H21N3O — CID 62169240

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

About N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide

N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide (PubChem CID 62169240) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide
PubChem CID62169240
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-(1-cyclopropylethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide
SMILESCNc1cc(C(=O)N(C)C(C)C2CC2)c2ccccc2n1
InChIInChI=1S/C17H21N3O/c1-11(12-8-9-12)20(3)17(21)14-10-16(18-2)19-15-7-5-4-6-13(14)15/h4-7,10-12H,8-9H2,1-3H3,(H,18,19)
InChIKeyJFSGUJNBCKPPKY-UHFFFAOYSA-N
XLogP3.15
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide
CID 62181843
N-(1-cyclopropylethyl)-4-hydrazinyl-N-methylquinoline-2-carboxamide
CID 63375607
N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)benzamide
CID 61375904
N-(1-cyclobutylethyl)-2-(methylamino)quinoline-4-carboxamide
CID 115769042
N-(2-cyanopropyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide
CID 62181387
N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide
CID 62179851
N-[(1,1-dioxothiolan-3-yl)methyl]-N-methyl-2-(methylamino)quinoline-4-carboxamide
CID 166218813
1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyquinolin-4-yl)methyl]-1-methylurea
CID 96565858
1-[(1S)-1-cyclopropylethyl]-3-[(2-methoxyquinolin-4-yl)methyl]-1-methylurea
CID 96565857
2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 62165979
(3,4-dihydroxypyrrolidin-1-yl)-[2-(methylamino)quinolin-4-yl]methanone
CID 106673774
N-(2-cyclopropylpropan-2-yl)-2-(methylamino)quinoline-4-carboxamide
CID 103718280

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide (CID 62169240) is N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide is CNc1cc(C(=O)N(C)C(C)C2CC2)c2ccccc2n1.
What is the InChIKey of N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide?
The InChIKey is JFSGUJNBCKPPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11(12-8-9-12)20(3)17(21)14-10-16(18-2)19-15-7-5-4-6-13(14)15/h4-7,10-12H,8-9H2,1-3H3,(H,18,19).
What are the key properties of N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide?
N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide is sourced from PubChem (CID 62169240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).