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

C16H19N3O — CID 62181843

IUPACN-(cyclopropylmethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide
SMILESCNc1cc(C(=O)N(C)CC2CC2)c2ccccc2n1
InChIInChI=1S/C16H19N3O/c1-17-15-9-13(12-5-3-4-6-14(12)18-15)16(20)19(2)10-11-7-8-11/h3-6,9,11H,7-8,10H2,1-2H3,(H,17,18)
InChIKeyTXNLOAYYVJWTKD-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.76
Rot. Bonds4

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

N-(cyclopropylmethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide (PubChem CID 62181843) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide
PubChem CID62181843
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(cyclopropylmethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide
SMILESCNc1cc(C(=O)N(C)CC2CC2)c2ccccc2n1
InChIInChI=1S/C16H19N3O/c1-17-15-9-13(12-5-3-4-6-14(12)18-15)16(20)19(2)10-11-7-8-11/h3-6,9,11H,7-8,10H2,1-2H3,(H,17,18)
InChIKeyTXNLOAYYVJWTKD-UHFFFAOYSA-N
XLogP2.76
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide (CID 62181843) is N-(cyclopropylmethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide is CNc1cc(C(=O)N(C)CC2CC2)c2ccccc2n1.
What is the InChIKey of N-(cyclopropylmethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide?
The InChIKey is TXNLOAYYVJWTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-17-15-9-13(12-5-3-4-6-14(12)18-15)16(20)19(2)10-11-7-8-11/h3-6,9,11H,7-8,10H2,1-2H3,(H,17,18).
What are the key properties of N-(cyclopropylmethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide?
N-(cyclopropylmethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide is sourced from PubChem (CID 62181843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).