N-(2-cyanopropyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide

C16H18N4O — CID 62181387

IUPACN-(2-cyanopropyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide
SMILESCNc1cc(C(=O)N(C)CC(C)C#N)c2ccccc2n1
InChIInChI=1S/C16H18N4O/c1-11(9-17)10-20(3)16(21)13-8-15(18-2)19-14-7-5-4-6-12(13)14/h4-8,11H,10H2,1-3H3,(H,18,19)
InChIKeyDBHFNLMHQIUESA-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.51
Rot. Bonds4

About N-(2-cyanopropyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide

N-(2-cyanopropyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide (PubChem CID 62181387) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide
PubChem CID62181387
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-(2-cyanopropyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide
SMILESCNc1cc(C(=O)N(C)CC(C)C#N)c2ccccc2n1
InChIInChI=1S/C16H18N4O/c1-11(9-17)10-20(3)16(21)13-8-15(18-2)19-14-7-5-4-6-12(13)14/h4-8,11H,10H2,1-3H3,(H,18,19)
InChIKeyDBHFNLMHQIUESA-UHFFFAOYSA-N
XLogP2.51
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide?
The IUPAC name of N-(2-cyanopropyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide (CID 62181387) is N-(2-cyanopropyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide is CNc1cc(C(=O)N(C)CC(C)C#N)c2ccccc2n1.
What is the InChIKey of N-(2-cyanopropyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide?
The InChIKey is DBHFNLMHQIUESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11(9-17)10-20(3)16(21)13-8-15(18-2)19-14-7-5-4-6-12(13)14/h4-8,11H,10H2,1-3H3,(H,18,19).
What are the key properties of N-(2-cyanopropyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide?
N-(2-cyanopropyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide is sourced from PubChem (CID 62181387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).