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

C16H25N3O — CID 66429515

IUPAC4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)N1CCCc2ccccc21
InChIInChI=1S/C16H25N3O/c1-2-9-18-16(20)11-14(12-17)19-10-5-7-13-6-3-4-8-15(13)19/h3-4,6,8,14H,2,5,7,9-12,17H2,1H3,(H,18,20)
InChIKeyYSHPZHRHHNOIFD-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.68
Rot. Bonds6

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

4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-N-propylbutanamide (PubChem CID 66429515) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-N-propylbutanamide.

Molecular Properties

Compound Name4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-N-propylbutanamide
PubChem CID66429515
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)N1CCCc2ccccc21
InChIInChI=1S/C16H25N3O/c1-2-9-18-16(20)11-14(12-17)19-10-5-7-13-6-3-4-8-15(13)19/h3-4,6,8,14H,2,5,7,9-12,17H2,1H3,(H,18,20)
InChIKeyYSHPZHRHHNOIFD-UHFFFAOYSA-N
XLogP1.68
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.68
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-methylbutanamide
CID 66427347
4-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-propylbutanamide
CID 66426549
4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 66430065
2-(3,4-dihydro-2H-quinolin-1-yl)butanamide
CID 62901418
2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-propylamino]-N-propylacetamide
CID 87015013
2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
CID 151944573
(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(ethylcarbamoyl)propanamide
CID 26551728
2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylpentan-1-amine
CID 83043322
4-amino-N-methyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butanamide
CID 66426715
(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 42223767
2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylbutan-1-amine
CID 62425422
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-amino-N-propylbutanamide
CID 66429305

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-N-propylbutanamide?
The IUPAC name of 4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-N-propylbutanamide (CID 66429515) is 4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-N-propylbutanamide.
What is the SMILES notation for 4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-N-propylbutanamide?
The canonical SMILES for 4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-N-propylbutanamide is CCCNC(=O)CC(CN)N1CCCc2ccccc21.
What is the InChIKey of 4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-N-propylbutanamide?
The InChIKey is YSHPZHRHHNOIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-9-18-16(20)11-14(12-17)19-10-5-7-13-6-3-4-8-15(13)19/h3-4,6,8,14H,2,5,7,9-12,17H2,1H3,(H,18,20).
What are the key properties of 4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-N-propylbutanamide?
4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-N-propylbutanamide has a molecular weight of 275.40 g/mol, XLogP of 1.68, 6 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-propylbutanamide is sourced from PubChem (CID 66429515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).