4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutanamide

C14H21N3O — CID 66427347

IUPAC4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutanamide
SMILESCNC(=O)CC(CN)N1CCCc2ccccc21
InChIInChI=1S/C14H21N3O/c1-16-14(18)9-12(10-15)17-8-4-6-11-5-2-3-7-13(11)17/h2-3,5,7,12H,4,6,8-10,15H2,1H3,(H,16,18)
InChIKeyLJIBBLWZOIXLNI-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.90
Rot. Bonds4

About 4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutanamide

4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutanamide (PubChem CID 66427347) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutanamide.

Molecular Properties

Compound Name4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutanamide
PubChem CID66427347
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutanamide
SMILESCNC(=O)CC(CN)N1CCCc2ccccc21
InChIInChI=1S/C14H21N3O/c1-16-14(18)9-12(10-15)17-8-4-6-11-5-2-3-7-13(11)17/h2-3,5,7,12H,4,6,8-10,15H2,1H3,(H,16,18)
InChIKeyLJIBBLWZOIXLNI-UHFFFAOYSA-N
XLogP0.90
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-N-propylbutanamide
CID 66429515
4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 66430065
4-amino-N-methyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butanamide
CID 66426715
2-(3,4-dihydro-2H-quinolin-1-yl)butanamide
CID 62901418
2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
CID 151944573
(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 42223767
2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl chloride
CID 12730427
2-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxy-N-methylpropan-1-amine
CID 103225397
benzyl 2-(3,4-dihydro-2H-quinolin-1-yl)propanoate
CID 139697216
2-(3,4-dihydro-2H-quinolin-1-yl)-N-propan-2-ylpropan-1-amine
CID 62425260
2-(3,4-dihydro-2H-quinolin-1-yl)-3-methylbutanoyl chloride
CID 82041996
2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylbutan-1-amine
CID 62425422

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutanamide?
The IUPAC name of 4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutanamide (CID 66427347) is 4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutanamide.
What is the SMILES notation for 4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutanamide?
The canonical SMILES for 4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutanamide is CNC(=O)CC(CN)N1CCCc2ccccc21.
What is the InChIKey of 4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutanamide?
The InChIKey is LJIBBLWZOIXLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16-14(18)9-12(10-15)17-8-4-6-11-5-2-3-7-13(11)17/h2-3,5,7,12H,4,6,8-10,15H2,1H3,(H,16,18).
What are the key properties of 4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutanamide?
4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutanamide has a molecular weight of 247.34 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutanamide is sourced from PubChem (CID 66427347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).