N-[(4-chlorophenyl)methyl]-8-hydroxy-2-(2-phenylethenyl)quinoline-7-carboxamide

C25H19ClN2O2 — CID 54063603

IUPACN-[(4-chlorophenyl)methyl]-8-hydroxy-2-(2-phenylethenyl)quinoline-7-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc2ccc(C=Cc3ccccc3)nc2c1O
InChIInChI=1S/C25H19ClN2O2/c26-20-11-6-18(7-12-20)16-27-25(30)22-15-10-19-9-14-21(28-23(19)24(22)29)13-8-17-4-2-1-3-5-17/h1-15,29H,16H2,(H,27,30)
InChIKeyMBKXGQUAOCSQLS-UHFFFAOYSA-N
MW414.89 g/mol
LogP5.69
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-8-hydroxy-2-(2-phenylethenyl)quinoline-7-carboxamide

N-[(4-chlorophenyl)methyl]-8-hydroxy-2-(2-phenylethenyl)quinoline-7-carboxamide (PubChem CID 54063603) has the molecular formula C25H19ClN2O2 and a molecular weight of 414.89 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-8-hydroxy-2-(2-phenylethenyl)quinoline-7-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-8-hydroxy-2-(2-phenylethenyl)quinoline-7-carboxamide
PubChem CID54063603
Molecular FormulaC25H19ClN2O2
Molecular Weight414.89 g/mol
Exact Mass414.11
IUPAC NameN-[(4-chlorophenyl)methyl]-8-hydroxy-2-(2-phenylethenyl)quinoline-7-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc2ccc(C=Cc3ccccc3)nc2c1O
InChIInChI=1S/C25H19ClN2O2/c26-20-11-6-18(7-12-20)16-27-25(30)22-15-10-19-9-14-21(28-23(19)24(22)29)13-8-17-4-2-1-3-5-17/h1-15,29H,16H2,(H,27,30)
InChIKeyMBKXGQUAOCSQLS-UHFFFAOYSA-N
XLogP5.69
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.89
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(4-chlorophenyl)methyl]-8-hydroxy-2-(2-phenylethenyl)quinoline-7-carboxamide 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

(4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide;8-hydroxyquinoline-7-carboxylic acid
CID 159537945
8-hydroxy-N-(3-phenylprop-2-enyl)quinoline-7-carboxamide
CID 68896999
5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide
CID 18372562
8-hydroxy-N-[(E)-3-phenylprop-2-enyl]quinoline-7-carboxamide
CID 22346434
2-amino-N-[(4-chlorophenyl)methyl]benzamide
CID 7312564
8-chloro-2-[(E)-2-phenylethenyl]quinoline
CID 53474916
N-[(4-chlorophenyl)methyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide
CID 2608362
N-benzyl-3-(4-chlorophenyl)prop-2-enamide
CID 682148
N-[(2,4-dichlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide;methane
CID 159727206
N-[(4-chlorophenyl)methyl]-2-hydroxy-3-methoxybenzamide
CID 11748334
6-chloro-N-[(4-chlorophenyl)methyl]-2-phenylquinoline-4-carboxamide
CID 4632644
N-[(4-chlorophenyl)methyl]-4-hydroxy-2-methylbenzamide
CID 103863411

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-8-hydroxy-2-(2-phenylethenyl)quinoline-7-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-8-hydroxy-2-(2-phenylethenyl)quinoline-7-carboxamide (CID 54063603) is N-[(4-chlorophenyl)methyl]-8-hydroxy-2-(2-phenylethenyl)quinoline-7-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-8-hydroxy-2-(2-phenylethenyl)quinoline-7-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-8-hydroxy-2-(2-phenylethenyl)quinoline-7-carboxamide is O=C(NCc1ccc(Cl)cc1)c1ccc2ccc(C=Cc3ccccc3)nc2c1O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-8-hydroxy-2-(2-phenylethenyl)quinoline-7-carboxamide?
The InChIKey is MBKXGQUAOCSQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN2O2/c26-20-11-6-18(7-12-20)16-27-25(30)22-15-10-19-9-14-21(28-23(19)24(22)29)13-8-17-4-2-1-3-5-17/h1-15,29H,16H2,(H,27,30).
What are the key properties of N-[(4-chlorophenyl)methyl]-8-hydroxy-2-(2-phenylethenyl)quinoline-7-carboxamide?
N-[(4-chlorophenyl)methyl]-8-hydroxy-2-(2-phenylethenyl)quinoline-7-carboxamide has a molecular weight of 414.89 g/mol, XLogP of 5.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-8-hydroxy-2-(2-phenylethenyl)quinoline-7-carboxamide is sourced from PubChem (CID 54063603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).