1-(4-chlorophenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydro-2H-quinoline-2-carbaldehyde

C24H29ClN2O2 — CID 174646770

IUPAC1-(4-chlorophenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydro-2H-quinoline-2-carbaldehyde
SMILESC[C@@H]1CCCN1CCCOc1ccc2c(c1)CCC(C=O)N2c1ccc(Cl)cc1
InChIInChI=1S/C24H29ClN2O2/c1-18-4-2-13-26(18)14-3-15-29-23-11-12-24-19(16-23)5-8-22(17-28)27(24)21-9-6-20(25)7-10-21/h6-7,9-12,16-18,22H,2-5,8,13-15H2,1H3/t18-,22?/m1/s1
InChIKeyFULZBBNCTKOFRR-ZZWBGTBQSA-N
MW412.96 g/mol
LogP5.24
Rot. Bonds7

About 1-(4-chlorophenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydro-2H-quinoline-2-carbaldehyde

1-(4-chlorophenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydro-2H-quinoline-2-carbaldehyde (PubChem CID 174646770) has the molecular formula C24H29ClN2O2 and a molecular weight of 412.96 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydro-2H-quinoline-2-carbaldehyde.

Molecular Properties

Compound Name1-(4-chlorophenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydro-2H-quinoline-2-carbaldehyde
PubChem CID174646770
Molecular FormulaC24H29ClN2O2
Molecular Weight412.96 g/mol
Exact Mass412.19
IUPAC Name1-(4-chlorophenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydro-2H-quinoline-2-carbaldehyde
SMILESC[C@@H]1CCCN1CCCOc1ccc2c(c1)CCC(C=O)N2c1ccc(Cl)cc1
InChIInChI=1S/C24H29ClN2O2/c1-18-4-2-13-26(18)14-3-15-29-23-11-12-24-19(16-23)5-8-22(17-28)27(24)21-9-6-20(25)7-10-21/h6-7,9-12,16-18,22H,2-5,8,13-15H2,1H3/t18-,22?/m1/s1
InChIKeyFULZBBNCTKOFRR-ZZWBGTBQSA-N
XLogP5.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.96
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-chlorophenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydro-2H-quinoline-2-carbaldehyde 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 1-(4-chlorophenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydro-2H-quinoline-2-carbaldehyde?
The IUPAC name of 1-(4-chlorophenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydro-2H-quinoline-2-carbaldehyde (CID 174646770) is 1-(4-chlorophenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydro-2H-quinoline-2-carbaldehyde.
What is the SMILES notation for 1-(4-chlorophenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydro-2H-quinoline-2-carbaldehyde?
The canonical SMILES for 1-(4-chlorophenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydro-2H-quinoline-2-carbaldehyde is C[C@@H]1CCCN1CCCOc1ccc2c(c1)CCC(C=O)N2c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydro-2H-quinoline-2-carbaldehyde?
The InChIKey is FULZBBNCTKOFRR-ZZWBGTBQSA-N. The full InChI is InChI=1S/C24H29ClN2O2/c1-18-4-2-13-26(18)14-3-15-29-23-11-12-24-19(16-23)5-8-22(17-28)27(24)21-9-6-20(25)7-10-21/h6-7,9-12,16-18,22H,2-5,8,13-15H2,1H3/t18-,22?/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydro-2H-quinoline-2-carbaldehyde?
1-(4-chlorophenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydro-2H-quinoline-2-carbaldehyde has a molecular weight of 412.96 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydro-2H-quinoline-2-carbaldehyde is sourced from PubChem (CID 174646770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).