4-[(2,6-dimethylphenyl)methylamino]-2-methylquinoline-8-carboxamide

C20H21N3O — CID 91827500

IUPAC4-[(2,6-dimethylphenyl)methylamino]-2-methylquinoline-8-carboxamide
SMILESCc1cc(NCc2c(C)cccc2C)c2cccc(C(N)=O)c2n1
InChIInChI=1S/C20H21N3O/c1-12-6-4-7-13(2)17(12)11-22-18-10-14(3)23-19-15(18)8-5-9-16(19)20(21)24/h4-10H,11H2,1-3H3,(H2,21,24)(H,22,23)
InChIKeyQTUZZGDVIHVSHA-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.87
Rot. Bonds4

About 4-[(2,6-dimethylphenyl)methylamino]-2-methylquinoline-8-carboxamide

4-[(2,6-dimethylphenyl)methylamino]-2-methylquinoline-8-carboxamide (PubChem CID 91827500) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-[(2,6-dimethylphenyl)methylamino]-2-methylquinoline-8-carboxamide.

Molecular Properties

Compound Name4-[(2,6-dimethylphenyl)methylamino]-2-methylquinoline-8-carboxamide
PubChem CID91827500
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name4-[(2,6-dimethylphenyl)methylamino]-2-methylquinoline-8-carboxamide
SMILESCc1cc(NCc2c(C)cccc2C)c2cccc(C(N)=O)c2n1
InChIInChI=1S/C20H21N3O/c1-12-6-4-7-13(2)17(12)11-22-18-10-14(3)23-19-15(18)8-5-9-16(19)20(21)24/h4-10H,11H2,1-3H3,(H2,21,24)(H,22,23)
InChIKeyQTUZZGDVIHVSHA-UHFFFAOYSA-N
XLogP3.87
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylphenyl)methylamino]-2-methylquinoline-8-carboxamide?
The IUPAC name of 4-[(2,6-dimethylphenyl)methylamino]-2-methylquinoline-8-carboxamide (CID 91827500) is 4-[(2,6-dimethylphenyl)methylamino]-2-methylquinoline-8-carboxamide.
What is the SMILES notation for 4-[(2,6-dimethylphenyl)methylamino]-2-methylquinoline-8-carboxamide?
The canonical SMILES for 4-[(2,6-dimethylphenyl)methylamino]-2-methylquinoline-8-carboxamide is Cc1cc(NCc2c(C)cccc2C)c2cccc(C(N)=O)c2n1.
What is the InChIKey of 4-[(2,6-dimethylphenyl)methylamino]-2-methylquinoline-8-carboxamide?
The InChIKey is QTUZZGDVIHVSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-12-6-4-7-13(2)17(12)11-22-18-10-14(3)23-19-15(18)8-5-9-16(19)20(21)24/h4-10H,11H2,1-3H3,(H2,21,24)(H,22,23).
What are the key properties of 4-[(2,6-dimethylphenyl)methylamino]-2-methylquinoline-8-carboxamide?
4-[(2,6-dimethylphenyl)methylamino]-2-methylquinoline-8-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylphenyl)methylamino]-2-methylquinoline-8-carboxamide is sourced from PubChem (CID 91827500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).