N-(4-butanimidoyl-2-methylquinolin-7-yl)-3-methylbutanamide

C19H25N3O — CID 174552364

IUPACN-(4-butanimidoyl-2-methylquinolin-7-yl)-3-methylbutanamide
SMILES[H]/N=C(\CCC)c1cc(C)nc2cc(NC(=O)CC(C)C)ccc12
InChIInChI=1S/C19H25N3O/c1-5-6-17(20)16-10-13(4)21-18-11-14(7-8-15(16)18)22-19(23)9-12(2)3/h7-8,10-12,20H,5-6,9H2,1-4H3,(H,22,23)/b20-17+
InChIKeyGBPKUPPYRRYHBS-LVZFUZTISA-N
MW311.43 g/mol
LogP4.70
Rot. Bonds6

About N-(4-butanimidoyl-2-methylquinolin-7-yl)-3-methylbutanamide

N-(4-butanimidoyl-2-methylquinolin-7-yl)-3-methylbutanamide (PubChem CID 174552364) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(4-butanimidoyl-2-methylquinolin-7-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-butanimidoyl-2-methylquinolin-7-yl)-3-methylbutanamide
PubChem CID174552364
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-(4-butanimidoyl-2-methylquinolin-7-yl)-3-methylbutanamide
SMILES[H]/N=C(\CCC)c1cc(C)nc2cc(NC(=O)CC(C)C)ccc12
InChIInChI=1S/C19H25N3O/c1-5-6-17(20)16-10-13(4)21-18-11-14(7-8-15(16)18)22-19(23)9-12(2)3/h7-8,10-12,20H,5-6,9H2,1-4H3,(H,22,23)/b20-17+
InChIKeyGBPKUPPYRRYHBS-LVZFUZTISA-N
XLogP4.70
TPSA65.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,4-bis[4-(4-butanimidoyl-2-methylquinolin-7-yl)phenyl]pentan-3-one
CID 174423397
N-[4-[(2R)-2-(methoxymethyl)butanimidoyl]-2-methylquinolin-7-yl]propanamide
CID 174537848
4-fluoro-N-[4-[(2S)-2-(hydroxymethyl)butanimidoyl]-2-methylquinolin-7-yl]benzamide
CID 174552293
3-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)butanamide
CID 110442147
N-(3-methylquinoxalin-6-yl)butanamide
CID 154505426
N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide
CID 924685
N-(2-butyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-3-methylbutanamide
CID 46269105
ethyl (2R)-2-[4-(3-methylbutanoylamino)anilino]propanoate
CID 95628149
3-methyl-1-(2-methylquinolin-4-yl)butan-1-one
CID 105077594
N-(4-fluoro-3-methylphenyl)-3-methylbutanamide
CID 110776354
3-(ethylamino)-N-quinoxalin-6-ylbutanamide
CID 62839375
N-(1,2-dimethylbenzimidazol-5-yl)butanamide
CID 965373

Frequently Asked Questions

What is the IUPAC name of N-(4-butanimidoyl-2-methylquinolin-7-yl)-3-methylbutanamide?
The IUPAC name of N-(4-butanimidoyl-2-methylquinolin-7-yl)-3-methylbutanamide (CID 174552364) is N-(4-butanimidoyl-2-methylquinolin-7-yl)-3-methylbutanamide.
What is the SMILES notation for N-(4-butanimidoyl-2-methylquinolin-7-yl)-3-methylbutanamide?
The canonical SMILES for N-(4-butanimidoyl-2-methylquinolin-7-yl)-3-methylbutanamide is [H]/N=C(\CCC)c1cc(C)nc2cc(NC(=O)CC(C)C)ccc12.
What is the InChIKey of N-(4-butanimidoyl-2-methylquinolin-7-yl)-3-methylbutanamide?
The InChIKey is GBPKUPPYRRYHBS-LVZFUZTISA-N. The full InChI is InChI=1S/C19H25N3O/c1-5-6-17(20)16-10-13(4)21-18-11-14(7-8-15(16)18)22-19(23)9-12(2)3/h7-8,10-12,20H,5-6,9H2,1-4H3,(H,22,23)/b20-17+.
What are the key properties of N-(4-butanimidoyl-2-methylquinolin-7-yl)-3-methylbutanamide?
N-(4-butanimidoyl-2-methylquinolin-7-yl)-3-methylbutanamide has a molecular weight of 311.43 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butanimidoyl-2-methylquinolin-7-yl)-3-methylbutanamide is sourced from PubChem (CID 174552364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).