[1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-3-yl]-phenylmethanone

C32H23ClN2O2 — CID 19097372

IUPAC[1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cn(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12
InChIInChI=1S/C32H23ClN2O2/c33-25-13-10-22(11-14-25)19-35-20-29(32(36)24-7-2-1-3-8-24)28-18-27(16-17-31(28)35)37-21-26-15-12-23-6-4-5-9-30(23)34-26/h1-18,20H,19,21H2
InChIKeyCCOUBGDUMDXMHT-UHFFFAOYSA-N
MW503.00 g/mol
LogP7.70
Rot. Bonds7

About [1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-3-yl]-phenylmethanone

[1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-3-yl]-phenylmethanone (PubChem CID 19097372) has the molecular formula C32H23ClN2O2 and a molecular weight of 503.00 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-3-yl]-phenylmethanone
PubChem CID19097372
Molecular FormulaC32H23ClN2O2
Molecular Weight503.00 g/mol
Exact Mass502.14
IUPAC Name[1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cn(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12
InChIInChI=1S/C32H23ClN2O2/c33-25-13-10-22(11-14-25)19-35-20-29(32(36)24-7-2-1-3-8-24)28-18-27(16-17-31(28)35)37-21-26-15-12-23-6-4-5-9-30(23)34-26/h1-18,20H,19,21H2
InChIKeyCCOUBGDUMDXMHT-UHFFFAOYSA-N
XLogP7.70
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.00
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-3-yl]-phenylmethanone 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)methyl]-5-(quinolin-2-ylmethoxy)indol-3-yl]-phenylmethanone?
The IUPAC name of [1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-3-yl]-phenylmethanone (CID 19097372) is [1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-3-yl]-phenylmethanone.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-3-yl]-phenylmethanone?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-3-yl]-phenylmethanone is O=C(c1ccccc1)c1cn(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-3-yl]-phenylmethanone?
The InChIKey is CCOUBGDUMDXMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23ClN2O2/c33-25-13-10-22(11-14-25)19-35-20-29(32(36)24-7-2-1-3-8-24)28-18-27(16-17-31(28)35)37-21-26-15-12-23-6-4-5-9-30(23)34-26/h1-18,20H,19,21H2.
What are the key properties of [1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-3-yl]-phenylmethanone?
[1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-3-yl]-phenylmethanone has a molecular weight of 503.00 g/mol, XLogP of 7.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-3-yl]-phenylmethanone is sourced from PubChem (CID 19097372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).