1-[(E)-3-chloroprop-2-enyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine

C15H21ClN2 — CID 107899395

IUPAC1-[(E)-3-chloroprop-2-enyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine
SMILESCCCNC1CCN(C/C=C/Cl)c2ccccc21
InChIInChI=1S/C15H21ClN2/c1-2-10-17-14-8-12-18(11-5-9-16)15-7-4-3-6-13(14)15/h3-7,9,14,17H,2,8,10-12H2,1H3/b9-5+
InChIKeyCXSMGXWFODXNSX-WEVVVXLNSA-N
MW264.80 g/mol
LogP3.69
Rot. Bonds5

About 1-[(E)-3-chloroprop-2-enyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine

1-[(E)-3-chloroprop-2-enyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine (PubChem CID 107899395) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 1-[(E)-3-chloroprop-2-enyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine.

Molecular Properties

Compound Name1-[(E)-3-chloroprop-2-enyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine
PubChem CID107899395
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC Name1-[(E)-3-chloroprop-2-enyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine
SMILESCCCNC1CCN(C/C=C/Cl)c2ccccc21
InChIInChI=1S/C15H21ClN2/c1-2-10-17-14-8-12-18(11-5-9-16)15-7-4-3-6-13(14)15/h3-7,9,14,17H,2,8,10-12H2,1H3/b9-5+
InChIKeyCXSMGXWFODXNSX-WEVVVXLNSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(E)-3-chloroprop-2-enyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(dimethylamino)propyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine
CID 114524576
2-[4-(propylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanesulfonamide
CID 114384644
1-(3-methoxy-3-methylbutyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine
CID 103032467
5-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol
CID 114336464
1-[3-(dimethylamino)propyl]-N-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114524582
1-(cyclopropylmethylsulfonyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine
CID 64990279
2-cyclobutyl-1-[4-(propylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 103161311
N-ethyl-1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-4-amine
CID 106449014
N-ethyl-1-(4-methoxybutyl)-3,4-dihydro-2H-quinolin-4-amine
CID 104646717
2-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butanamide
CID 114336473
1-ethyl-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336204
1-(2-ethylphenyl)-3-(propylamino)pyrrolidin-2-one
CID 54973363

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine?
The IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine (CID 107899395) is 1-[(E)-3-chloroprop-2-enyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine.
What is the SMILES notation for 1-[(E)-3-chloroprop-2-enyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine?
The canonical SMILES for 1-[(E)-3-chloroprop-2-enyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine is CCCNC1CCN(C/C=C/Cl)c2ccccc21.
What is the InChIKey of 1-[(E)-3-chloroprop-2-enyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine?
The InChIKey is CXSMGXWFODXNSX-WEVVVXLNSA-N. The full InChI is InChI=1S/C15H21ClN2/c1-2-10-17-14-8-12-18(11-5-9-16)15-7-4-3-6-13(14)15/h3-7,9,14,17H,2,8,10-12H2,1H3/b9-5+.
What are the key properties of 1-[(E)-3-chloroprop-2-enyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine?
1-[(E)-3-chloroprop-2-enyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine has a molecular weight of 264.80 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-chloroprop-2-enyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine is sourced from PubChem (CID 107899395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).