4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propylamino)butanamide

C17H27N3O — CID 63466348

IUPAC4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propylamino)butanamide
SMILESCCCNC(CCN1CC(C)Cc2ccccc21)C(N)=O
InChIInChI=1S/C17H27N3O/c1-3-9-19-15(17(18)21)8-10-20-12-13(2)11-14-6-4-5-7-16(14)20/h4-7,13,15,19H,3,8-12H2,1-2H3,(H2,18,21)
InChIKeyBHUVQVGJOBESNF-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.93
Rot. Bonds7

About 4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propylamino)butanamide

4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propylamino)butanamide (PubChem CID 63466348) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propylamino)butanamide.

Molecular Properties

Compound Name4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propylamino)butanamide
PubChem CID63466348
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propylamino)butanamide
SMILESCCCNC(CCN1CC(C)Cc2ccccc21)C(N)=O
InChIInChI=1S/C17H27N3O/c1-3-9-19-15(17(18)21)8-10-20-12-13(2)11-14-6-4-5-7-16(14)20/h4-7,13,15,19H,3,8-12H2,1-2H3,(H2,18,21)
InChIKeyBHUVQVGJOBESNF-UHFFFAOYSA-N
XLogP1.93
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propylamino)butanamide?
The IUPAC name of 4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propylamino)butanamide (CID 63466348) is 4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propylamino)butanamide.
What is the SMILES notation for 4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propylamino)butanamide?
The canonical SMILES for 4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propylamino)butanamide is CCCNC(CCN1CC(C)Cc2ccccc21)C(N)=O.
What is the InChIKey of 4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propylamino)butanamide?
The InChIKey is BHUVQVGJOBESNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-9-19-15(17(18)21)8-10-20-12-13(2)11-14-6-4-5-7-16(14)20/h4-7,13,15,19H,3,8-12H2,1-2H3,(H2,18,21).
What are the key properties of 4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propylamino)butanamide?
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propylamino)butanamide has a molecular weight of 289.42 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propylamino)butanamide is sourced from PubChem (CID 63466348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).