6-amino-N-ethyl-2-methylquinoline-4-carboxamide

C13H15N3O — CID 110489395

IUPAC6-amino-N-ethyl-2-methylquinoline-4-carboxamide
SMILESCCNC(=O)c1cc(C)nc2ccc(N)cc12
InChIInChI=1S/C13H15N3O/c1-3-15-13(17)11-6-8(2)16-12-5-4-9(14)7-10(11)12/h4-7H,3,14H2,1-2H3,(H,15,17)
InChIKeyHNKHAYQKTDCLKM-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.88
Rot. Bonds2

About 6-amino-N-ethyl-2-methylquinoline-4-carboxamide

6-amino-N-ethyl-2-methylquinoline-4-carboxamide (PubChem CID 110489395) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 6-amino-N-ethyl-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-amino-N-ethyl-2-methylquinoline-4-carboxamide
PubChem CID110489395
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name6-amino-N-ethyl-2-methylquinoline-4-carboxamide
SMILESCCNC(=O)c1cc(C)nc2ccc(N)cc12
InChIInChI=1S/C13H15N3O/c1-3-15-13(17)11-6-8(2)16-12-5-4-9(14)7-10(11)12/h4-7H,3,14H2,1-2H3,(H,15,17)
InChIKeyHNKHAYQKTDCLKM-UHFFFAOYSA-N
XLogP1.88
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide
CID 110489408
N-ethyl-2-methyl-6-propan-2-ylquinoline-4-carboxamide
CID 53016185
6-amino-N,N-diethyl-2-methylquinoline-4-carboxamide
CID 110489421
(6-amino-2-methylquinolin-4-yl)-piperidin-1-ylmethanone
CID 110489432
4-amino-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzamide
CID 135987401
N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874
2-methyl-6-nitro-N-propylquinoline-4-carboxamide
CID 110489389
N-[2-(diethylamino)propyl]-2,6-dimethylquinoline-4-carboxamide
CID 55675834
6-bromo-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide
CID 46291474
ethyl 7-[(2,6-dimethylquinoline-4-carbonyl)amino]heptanoate
CID 60521634
2,6-dimethyl-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide
CID 34167121
6-fluoro-N-(2-hydroxypropyl)-2-methylquinoline-4-carboxamide
CID 110489253

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-ethyl-2-methylquinoline-4-carboxamide?
The IUPAC name of 6-amino-N-ethyl-2-methylquinoline-4-carboxamide (CID 110489395) is 6-amino-N-ethyl-2-methylquinoline-4-carboxamide.
What is the SMILES notation for 6-amino-N-ethyl-2-methylquinoline-4-carboxamide?
The canonical SMILES for 6-amino-N-ethyl-2-methylquinoline-4-carboxamide is CCNC(=O)c1cc(C)nc2ccc(N)cc12.
What is the InChIKey of 6-amino-N-ethyl-2-methylquinoline-4-carboxamide?
The InChIKey is HNKHAYQKTDCLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-3-15-13(17)11-6-8(2)16-12-5-4-9(14)7-10(11)12/h4-7H,3,14H2,1-2H3,(H,15,17).
What are the key properties of 6-amino-N-ethyl-2-methylquinoline-4-carboxamide?
6-amino-N-ethyl-2-methylquinoline-4-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-ethyl-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 110489395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).