N-benzyl-N,2-dimethylquinoline-3-carboxamide

C19H18N2O — CID 2082101

IUPACN-benzyl-N,2-dimethylquinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C19H18N2O/c1-14-17(12-16-10-6-7-11-18(16)20-14)19(22)21(2)13-15-8-4-3-5-9-15/h3-12H,13H2,1-2H3
InChIKeyZHIRTBXUANGNSQ-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.82
Rot. Bonds3

About N-benzyl-N,2-dimethylquinoline-3-carboxamide

N-benzyl-N,2-dimethylquinoline-3-carboxamide (PubChem CID 2082101) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is N-benzyl-N,2-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,2-dimethylquinoline-3-carboxamide
PubChem CID2082101
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC NameN-benzyl-N,2-dimethylquinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C19H18N2O/c1-14-17(12-16-10-6-7-11-18(16)20-14)19(22)21(2)13-15-8-4-3-5-9-15/h3-12H,13H2,1-2H3
InChIKeyZHIRTBXUANGNSQ-UHFFFAOYSA-N
XLogP3.82
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,2-dimethylquinoline-3-carboxamide?
The IUPAC name of N-benzyl-N,2-dimethylquinoline-3-carboxamide (CID 2082101) is N-benzyl-N,2-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-benzyl-N,2-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-benzyl-N,2-dimethylquinoline-3-carboxamide is Cc1nc2ccccc2cc1C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N,2-dimethylquinoline-3-carboxamide?
The InChIKey is ZHIRTBXUANGNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-14-17(12-16-10-6-7-11-18(16)20-14)19(22)21(2)13-15-8-4-3-5-9-15/h3-12H,13H2,1-2H3.
What are the key properties of N-benzyl-N,2-dimethylquinoline-3-carboxamide?
N-benzyl-N,2-dimethylquinoline-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,2-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 2082101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).