[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

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Related Compounds

1-(cyclohexylmethyl)-1H-indole-3-carboxylic acid 8-quinolinyl ester
CID 71711120
FUB-PB-22 compound
CID 91936864
pyridin-3-yl 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetate
CID 10574865
5-(benzyloxy)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 11597475
1-((4-Chlorophenyl)methyl)-3-(3,3-dimethyl-1-oxobutyl)-alpha,alpha-dimethyl-5-(2-quinolinylmethoxy)-1H-indole-2-propanoic acid
CID 11758240
4-{2-[5-(benzyloxy)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indol-1-yl]ethyl}morpholine
CID 24768502
Way 121520
CID 192268
(S)-3-(5-((1-acetylindolin-2-yl)methoxy)-3-benzoyl-1-(4-chlorobenzyl)-1H-indol-2-yl)-2,2-dimethylpropanoic acid
CID 46227656
3-[3-(3,3-Dimethylbutanoyl)-1-[[4-(6-ethoxy-3-pyridinyl)phenyl]methyl]-5-[(5-methyl-2-pyridinyl)methoxy]indol-2-yl]-2,2-dimethylpropanoic acid
CID 56850393
3-[1-[[4-(6-Ethoxy-3-pyridinyl)phenyl]methyl]-5-[(5-methyl-2-pyridinyl)methoxy]-3-(2-phenylacetyl)indol-2-yl]-2,2-dimethylpropanoic acid
CID 56850394
4-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-2-[(3-chlorophenyl)carbonyl]aniline
CID 10289089
{1-[2-(4-chlorophenoxy)ethyl]-1H-indol-3-yl}(cyclohexyl)methanone
CID 3463361

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).