8-amino-N-butan-2-yl-2-methylquinoline-4-carboxamide

C15H19N3O — CID 110489357

IUPAC8-amino-N-butan-2-yl-2-methylquinoline-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(C)nc2c(N)cccc12
InChIInChI=1S/C15H19N3O/c1-4-9(2)18-15(19)12-8-10(3)17-14-11(12)6-5-7-13(14)16/h5-9H,4,16H2,1-3H3,(H,18,19)
InChIKeyZTTOMPOIQHHUKZ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.65
Rot. Bonds3

About 8-amino-N-butan-2-yl-2-methylquinoline-4-carboxamide

8-amino-N-butan-2-yl-2-methylquinoline-4-carboxamide (PubChem CID 110489357) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 8-amino-N-butan-2-yl-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name8-amino-N-butan-2-yl-2-methylquinoline-4-carboxamide
PubChem CID110489357
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name8-amino-N-butan-2-yl-2-methylquinoline-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(C)nc2c(N)cccc12
InChIInChI=1S/C15H19N3O/c1-4-9(2)18-15(19)12-8-10(3)17-14-11(12)6-5-7-13(14)16/h5-9H,4,16H2,1-3H3,(H,18,19)
InChIKeyZTTOMPOIQHHUKZ-UHFFFAOYSA-N
XLogP2.65
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.65
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

N-butan-2-yl-8-chloro-2-methylquinoline-4-carboxamide
CID 53016160
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2,8-dimethylquinoline-4-carboxamide
CID 51586879
N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide
CID 62094391
2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide
CID 4877911
3-amino-N-[(2S)-butan-2-yl]benzamide
CID 42427278
N-butan-2-yl-8-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 53016620
2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide
CID 7032720
8-fluoro-2-methyl-N-propylquinoline-4-carboxamide
CID 110489274
[2-(butan-2-ylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 18074137
N-butan-2-yl-2-hydroxy-3-methylbenzamide
CID 43176510
8-ethoxy-N-hydroxy-2-methylquinoline-4-carboxamide
CID 82574485
3-amino-5-bromo-N-butan-2-yl-2-methylbenzamide
CID 107871970

Frequently Asked Questions

What is the IUPAC name of 8-amino-N-butan-2-yl-2-methylquinoline-4-carboxamide?
The IUPAC name of 8-amino-N-butan-2-yl-2-methylquinoline-4-carboxamide (CID 110489357) is 8-amino-N-butan-2-yl-2-methylquinoline-4-carboxamide.
What is the SMILES notation for 8-amino-N-butan-2-yl-2-methylquinoline-4-carboxamide?
The canonical SMILES for 8-amino-N-butan-2-yl-2-methylquinoline-4-carboxamide is CCC(C)NC(=O)c1cc(C)nc2c(N)cccc12.
What is the InChIKey of 8-amino-N-butan-2-yl-2-methylquinoline-4-carboxamide?
The InChIKey is ZTTOMPOIQHHUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-9(2)18-15(19)12-8-10(3)17-14-11(12)6-5-7-13(14)16/h5-9H,4,16H2,1-3H3,(H,18,19).
What are the key properties of 8-amino-N-butan-2-yl-2-methylquinoline-4-carboxamide?
8-amino-N-butan-2-yl-2-methylquinoline-4-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-N-butan-2-yl-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 110489357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).