(4S)-1-benzyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine

C21H24N4 — CID 164642503

IUPAC(4S)-1-benzyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine
SMILESCc1[nH]ncc1CN[C@H]1CCN(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C21H24N4/c1-16-18(14-23-24-16)13-22-20-11-12-25(15-17-7-3-2-4-8-17)21-10-6-5-9-19(20)21/h2-10,14,20,22H,11-13,15H2,1H3,(H,23,24)/t20-/m0/s1
InChIKeyVWVHDCDSBRYGAG-FQEVSTJZSA-N
MW332.45 g/mol
LogP3.96
Rot. Bonds5

About (4S)-1-benzyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine

(4S)-1-benzyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine (PubChem CID 164642503) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is (4S)-1-benzyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine.

Molecular Properties

Compound Name(4S)-1-benzyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine
PubChem CID164642503
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name(4S)-1-benzyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine
SMILESCc1[nH]ncc1CN[C@H]1CCN(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C21H24N4/c1-16-18(14-23-24-16)13-22-20-11-12-25(15-17-7-3-2-4-8-17)21-10-6-5-9-19(20)21/h2-10,14,20,22H,11-13,15H2,1H3,(H,23,24)/t20-/m0/s1
InChIKeyVWVHDCDSBRYGAG-FQEVSTJZSA-N
XLogP3.96
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4S)-1-benzyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-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

Frequently Asked Questions

What is the IUPAC name of (4S)-1-benzyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine?
The IUPAC name of (4S)-1-benzyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine (CID 164642503) is (4S)-1-benzyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine.
What is the SMILES notation for (4S)-1-benzyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine?
The canonical SMILES for (4S)-1-benzyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine is Cc1[nH]ncc1CN[C@H]1CCN(Cc2ccccc2)c2ccccc21.
What is the InChIKey of (4S)-1-benzyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine?
The InChIKey is VWVHDCDSBRYGAG-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H24N4/c1-16-18(14-23-24-16)13-22-20-11-12-25(15-17-7-3-2-4-8-17)21-10-6-5-9-19(20)21/h2-10,14,20,22H,11-13,15H2,1H3,(H,23,24)/t20-/m0/s1.
What are the key properties of (4S)-1-benzyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine?
(4S)-1-benzyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine has a molecular weight of 332.45 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-benzyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine is sourced from PubChem (CID 164642503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).