6-amino-N,N-diethyl-2-methylquinoline-4-carboxamide

C15H19N3O — CID 110489421

IUPAC6-amino-N,N-diethyl-2-methylquinoline-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(C)nc2ccc(N)cc12
InChIInChI=1S/C15H19N3O/c1-4-18(5-2)15(19)13-8-10(3)17-14-7-6-11(16)9-12(13)14/h6-9H,4-5,16H2,1-3H3
InChIKeyZHBBZZTXEUKCIM-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.61
Rot. Bonds3

About 6-amino-N,N-diethyl-2-methylquinoline-4-carboxamide

6-amino-N,N-diethyl-2-methylquinoline-4-carboxamide (PubChem CID 110489421) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-amino-N,N-diethyl-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-amino-N,N-diethyl-2-methylquinoline-4-carboxamide
PubChem CID110489421
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name6-amino-N,N-diethyl-2-methylquinoline-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(C)nc2ccc(N)cc12
InChIInChI=1S/C15H19N3O/c1-4-18(5-2)15(19)13-8-10(3)17-14-7-6-11(16)9-12(13)14/h6-9H,4-5,16H2,1-3H3
InChIKeyZHBBZZTXEUKCIM-UHFFFAOYSA-N
XLogP2.61
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-ethyl-2-methylquinoline-4-carboxamide
CID 110489395
2,6-dimethyl-N,N-dipropylquinoline-4-carboxamide
CID 55370471
6-amino-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide
CID 110489408
N-ethyl-N,2,6-trimethylquinoline-4-carboxamide
CID 134005674
2-amino-N,N-diethylquinoline-4-carboxamide
CID 62155871
N-(2,5-dimethylphenyl)-N-ethyl-2,6-dimethylquinoline-4-carboxamide
CID 55591955
(6-amino-2-methylquinolin-4-yl)-piperidin-1-ylmethanone
CID 110489432
8-chloro-N,N-diethyl-2-methylquinoline-4-carboxamide
CID 110489310
N,N-diethyl-8-fluoro-2-methylquinoline-4-carboxamide
CID 110489286
N-(2,4-dimethylphenyl)-N-ethyl-2,6-dimethylquinoline-4-carboxamide
CID 55592541
N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide
CID 24529352
N-ethyl-7-fluoro-N-(2-hydroxyethyl)-2-methylquinoline-4-carboxamide
CID 78860252

Frequently Asked Questions

What is the IUPAC name of 6-amino-N,N-diethyl-2-methylquinoline-4-carboxamide?
The IUPAC name of 6-amino-N,N-diethyl-2-methylquinoline-4-carboxamide (CID 110489421) is 6-amino-N,N-diethyl-2-methylquinoline-4-carboxamide.
What is the SMILES notation for 6-amino-N,N-diethyl-2-methylquinoline-4-carboxamide?
The canonical SMILES for 6-amino-N,N-diethyl-2-methylquinoline-4-carboxamide is CCN(CC)C(=O)c1cc(C)nc2ccc(N)cc12.
What is the InChIKey of 6-amino-N,N-diethyl-2-methylquinoline-4-carboxamide?
The InChIKey is ZHBBZZTXEUKCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-18(5-2)15(19)13-8-10(3)17-14-7-6-11(16)9-12(13)14/h6-9H,4-5,16H2,1-3H3.
What are the key properties of 6-amino-N,N-diethyl-2-methylquinoline-4-carboxamide?
6-amino-N,N-diethyl-2-methylquinoline-4-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N,N-diethyl-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 110489421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).