3-[(Z)-3-amino-1-[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-2-[ethenyl(methyl)amino]-1-hydroxyprop-2-enyl]benzaldehyde

C29H26ClN3O3 — CID 89383076

IUPAC3-[(Z)-3-amino-1-[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-2-[ethenyl(methyl)amino]-1-hydroxyprop-2-enyl]benzaldehyde
SMILESC=CN(C)/C(=C\N)C(O)(c1cccc(C=O)c1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C
InChIInChI=1S/C29H26ClN3O3/c1-4-32(2)27(17-31)29(36,21-9-5-7-19(13-21)18-34)22-11-12-26-25(15-22)24(16-28(35)33(26)3)20-8-6-10-23(30)14-20/h4-18,36H,1,31H2,2-3H3/b27-17-
InChIKeyYDJDQSBTPPAVDF-PKAZHMFMSA-N
MW500.00 g/mol
LogP4.78
Rot. Bonds7

About 3-[(Z)-3-amino-1-[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-2-[ethenyl(methyl)amino]-1-hydroxyprop-2-enyl]benzaldehyde

3-[(Z)-3-amino-1-[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-2-[ethenyl(methyl)amino]-1-hydroxyprop-2-enyl]benzaldehyde (PubChem CID 89383076) has the molecular formula C29H26ClN3O3 and a molecular weight of 500.00 g/mol. Its IUPAC name is 3-[(Z)-3-amino-1-[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-2-[ethenyl(methyl)amino]-1-hydroxyprop-2-enyl]benzaldehyde.

Molecular Properties

Compound Name3-[(Z)-3-amino-1-[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-2-[ethenyl(methyl)amino]-1-hydroxyprop-2-enyl]benzaldehyde
PubChem CID89383076
Molecular FormulaC29H26ClN3O3
Molecular Weight500.00 g/mol
Exact Mass499.17
IUPAC Name3-[(Z)-3-amino-1-[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-2-[ethenyl(methyl)amino]-1-hydroxyprop-2-enyl]benzaldehyde
SMILESC=CN(C)/C(=C\N)C(O)(c1cccc(C=O)c1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C
InChIInChI=1S/C29H26ClN3O3/c1-4-32(2)27(17-31)29(36,21-9-5-7-19(13-21)18-34)22-11-12-26-25(15-22)24(16-28(35)33(26)3)20-8-6-10-23(30)14-20/h4-18,36H,1,31H2,2-3H3/b27-17-
InChIKeyYDJDQSBTPPAVDF-PKAZHMFMSA-N
XLogP4.78
TPSA88.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500500.00
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(Z)-3-amino-1-[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-2-[ethenyl(methyl)amino]-1-hydroxyprop-2-enyl]benzaldehyde 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 3-[(Z)-3-amino-1-[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-2-[ethenyl(methyl)amino]-1-hydroxyprop-2-enyl]benzaldehyde?
The IUPAC name of 3-[(Z)-3-amino-1-[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-2-[ethenyl(methyl)amino]-1-hydroxyprop-2-enyl]benzaldehyde (CID 89383076) is 3-[(Z)-3-amino-1-[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-2-[ethenyl(methyl)amino]-1-hydroxyprop-2-enyl]benzaldehyde.
What is the SMILES notation for 3-[(Z)-3-amino-1-[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-2-[ethenyl(methyl)amino]-1-hydroxyprop-2-enyl]benzaldehyde?
The canonical SMILES for 3-[(Z)-3-amino-1-[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-2-[ethenyl(methyl)amino]-1-hydroxyprop-2-enyl]benzaldehyde is C=CN(C)/C(=C\N)C(O)(c1cccc(C=O)c1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C.
What is the InChIKey of 3-[(Z)-3-amino-1-[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-2-[ethenyl(methyl)amino]-1-hydroxyprop-2-enyl]benzaldehyde?
The InChIKey is YDJDQSBTPPAVDF-PKAZHMFMSA-N. The full InChI is InChI=1S/C29H26ClN3O3/c1-4-32(2)27(17-31)29(36,21-9-5-7-19(13-21)18-34)22-11-12-26-25(15-22)24(16-28(35)33(26)3)20-8-6-10-23(30)14-20/h4-18,36H,1,31H2,2-3H3/b27-17-.
What are the key properties of 3-[(Z)-3-amino-1-[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-2-[ethenyl(methyl)amino]-1-hydroxyprop-2-enyl]benzaldehyde?
3-[(Z)-3-amino-1-[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-2-[ethenyl(methyl)amino]-1-hydroxyprop-2-enyl]benzaldehyde has a molecular weight of 500.00 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-3-amino-1-[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-2-[ethenyl(methyl)amino]-1-hydroxyprop-2-enyl]benzaldehyde is sourced from PubChem (CID 89383076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).