2-[2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)quinazolin-4-one

C25H21N3O — CID 14843030

IUPAC2-[2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)quinazolin-4-one
SMILESCc1cccc(-n2c(CCc3c[nH]c4ccccc34)nc3ccccc3c2=O)c1
InChIInChI=1S/C25H21N3O/c1-17-7-6-8-19(15-17)28-24(27-23-12-5-3-10-21(23)25(28)29)14-13-18-16-26-22-11-4-2-9-20(18)22/h2-12,15-16,26H,13-14H2,1H3
InChIKeyJSNAYQZWWFXRLV-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.96
Rot. Bonds4

About 2-[2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)quinazolin-4-one

2-[2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)quinazolin-4-one (PubChem CID 14843030) has the molecular formula C25H21N3O and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-[2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)quinazolin-4-one
PubChem CID14843030
Molecular FormulaC25H21N3O
Molecular Weight379.46 g/mol
Exact Mass379.17
IUPAC Name2-[2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)quinazolin-4-one
SMILESCc1cccc(-n2c(CCc3c[nH]c4ccccc34)nc3ccccc3c2=O)c1
InChIInChI=1S/C25H21N3O/c1-17-7-6-8-19(15-17)28-24(27-23-12-5-3-10-21(23)25(28)29)14-13-18-16-26-22-11-4-2-9-20(18)22/h2-12,15-16,26H,13-14H2,1H3
InChIKeyJSNAYQZWWFXRLV-UHFFFAOYSA-N
XLogP4.96
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)quinazolin-4-one?
The IUPAC name of 2-[2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)quinazolin-4-one (CID 14843030) is 2-[2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 2-[2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)quinazolin-4-one?
The canonical SMILES for 2-[2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)quinazolin-4-one is Cc1cccc(-n2c(CCc3c[nH]c4ccccc34)nc3ccccc3c2=O)c1.
What is the InChIKey of 2-[2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)quinazolin-4-one?
The InChIKey is JSNAYQZWWFXRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O/c1-17-7-6-8-19(15-17)28-24(27-23-12-5-3-10-21(23)25(28)29)14-13-18-16-26-22-11-4-2-9-20(18)22/h2-12,15-16,26H,13-14H2,1H3.
What are the key properties of 2-[2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)quinazolin-4-one?
2-[2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)quinazolin-4-one has a molecular weight of 379.46 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 14843030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).