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

C17H27N3O — CID 66426549

IUPAC4-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)N1CC(C)Cc2ccccc21
InChIInChI=1S/C17H27N3O/c1-3-8-19-17(21)10-15(11-18)20-12-13(2)9-14-6-4-5-7-16(14)20/h4-7,13,15H,3,8-12,18H2,1-2H3,(H,19,21)
InChIKeyVBXMJRXZUGCFOO-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.93
Rot. Bonds6

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

4-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-propylbutanamide (PubChem CID 66426549) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-propylbutanamide.

Molecular Properties

Compound Name4-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-propylbutanamide
PubChem CID66426549
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)N1CC(C)Cc2ccccc21
InChIInChI=1S/C17H27N3O/c1-3-8-19-17(21)10-15(11-18)20-12-13(2)9-14-6-4-5-7-16(14)20/h4-7,13,15H,3,8-12,18H2,1-2H3,(H,19,21)
InChIKeyVBXMJRXZUGCFOO-UHFFFAOYSA-N
XLogP1.93
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-methyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butanamide
CID 66426715
4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-N-propylbutanamide
CID 66429515
2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)nonan-1-amine
CID 63466877
N-tert-butyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-amine
CID 83039796
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propylamino)butanamide
CID 63466348
4-amino-3-(4-methylpiperidin-1-yl)-N-propylbutanamide
CID 66428450
3-(aminomethyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 81079948
3,3,3-trifluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-amine
CID 63403968
4-amino-3-(2,6-dimethylthiomorpholin-4-yl)-N-propylbutanamide
CID 66427409
N-(2-hydroxyethyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 63404016
4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutanamide
CID 66427347
tert-butyl 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoate
CID 64688932

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-propylbutanamide?
The IUPAC name of 4-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-propylbutanamide (CID 66426549) is 4-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-propylbutanamide.
What is the SMILES notation for 4-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-propylbutanamide?
The canonical SMILES for 4-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-propylbutanamide is CCCNC(=O)CC(CN)N1CC(C)Cc2ccccc21.
What is the InChIKey of 4-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-propylbutanamide?
The InChIKey is VBXMJRXZUGCFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-8-19-17(21)10-15(11-18)20-12-13(2)9-14-6-4-5-7-16(14)20/h4-7,13,15H,3,8-12,18H2,1-2H3,(H,19,21).
What are the key properties of 4-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-propylbutanamide?
4-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-propylbutanamide has a molecular weight of 289.42 g/mol, XLogP of 1.93, 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-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-propylbutanamide is sourced from PubChem (CID 66426549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).