2-(4-ethylphenyl)-7-(1H-indol-5-yl)-4-(3-methoxyphenyl)quinazoline

C31H25N3O — CID 50911063

IUPAC2-(4-ethylphenyl)-7-(1H-indol-5-yl)-4-(3-methoxyphenyl)quinazoline
SMILESCCc1ccc(-c2nc(-c3cccc(OC)c3)c3ccc(-c4ccc5[nH]ccc5c4)cc3n2)cc1
InChIInChI=1S/C31H25N3O/c1-3-20-7-9-21(10-8-20)31-33-29-19-23(22-12-14-28-24(17-22)15-16-32-28)11-13-27(29)30(34-31)25-5-4-6-26(18-25)35-2/h4-19,32H,3H2,1-2H3
InChIKeyYTKPZWHIGOLRJF-UHFFFAOYSA-N
MW455.56 g/mol
LogP7.68
Rot. Bonds5

About 2-(4-ethylphenyl)-7-(1H-indol-5-yl)-4-(3-methoxyphenyl)quinazoline

2-(4-ethylphenyl)-7-(1H-indol-5-yl)-4-(3-methoxyphenyl)quinazoline (PubChem CID 50911063) has the molecular formula C31H25N3O and a molecular weight of 455.56 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-7-(1H-indol-5-yl)-4-(3-methoxyphenyl)quinazoline.

Molecular Properties

Compound Name2-(4-ethylphenyl)-7-(1H-indol-5-yl)-4-(3-methoxyphenyl)quinazoline
PubChem CID50911063
Molecular FormulaC31H25N3O
Molecular Weight455.56 g/mol
Exact Mass455.20
IUPAC Name2-(4-ethylphenyl)-7-(1H-indol-5-yl)-4-(3-methoxyphenyl)quinazoline
SMILESCCc1ccc(-c2nc(-c3cccc(OC)c3)c3ccc(-c4ccc5[nH]ccc5c4)cc3n2)cc1
InChIInChI=1S/C31H25N3O/c1-3-20-7-9-21(10-8-20)31-33-29-19-23(22-12-14-28-24(17-22)15-16-32-28)11-13-27(29)30(34-31)25-5-4-6-26(18-25)35-2/h4-19,32H,3H2,1-2H3
InChIKeyYTKPZWHIGOLRJF-UHFFFAOYSA-N
XLogP7.68
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 57.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-2-(4-ethylphenyl)-4-(3-methoxyphenyl)quinazoline
CID 50911062
N-(1H-indol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine
CID 17221716
N-(1H-indol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine;hydrochloride
CID 17221715
2,7-bis(3-methoxyphenyl)-9H-carbazole
CID 141312734
6-methoxy-4-(4-methoxyphenyl)-2-phenylquinazoline
CID 101425277
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
5-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-1H-indole
CID 155934782
7-fluoro-2-(3-methoxyphenyl)quinazolin-4-amine
CID 64983270
4-naphthalen-2-yl-7-(18-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18,21-undecaenyl)-2-phenylquinazoline
CID 167087717
ethyl 4-(6-methoxy-2-phenylquinazolin-4-yl)benzoate
CID 101425278
4-chloro-6-ethyl-2-(4-methoxyphenyl)quinazoline
CID 114590653
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-7-(1H-indol-5-yl)-4-(3-methoxyphenyl)quinazoline?
The IUPAC name of 2-(4-ethylphenyl)-7-(1H-indol-5-yl)-4-(3-methoxyphenyl)quinazoline (CID 50911063) is 2-(4-ethylphenyl)-7-(1H-indol-5-yl)-4-(3-methoxyphenyl)quinazoline.
What is the SMILES notation for 2-(4-ethylphenyl)-7-(1H-indol-5-yl)-4-(3-methoxyphenyl)quinazoline?
The canonical SMILES for 2-(4-ethylphenyl)-7-(1H-indol-5-yl)-4-(3-methoxyphenyl)quinazoline is CCc1ccc(-c2nc(-c3cccc(OC)c3)c3ccc(-c4ccc5[nH]ccc5c4)cc3n2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-7-(1H-indol-5-yl)-4-(3-methoxyphenyl)quinazoline?
The InChIKey is YTKPZWHIGOLRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N3O/c1-3-20-7-9-21(10-8-20)31-33-29-19-23(22-12-14-28-24(17-22)15-16-32-28)11-13-27(29)30(34-31)25-5-4-6-26(18-25)35-2/h4-19,32H,3H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-7-(1H-indol-5-yl)-4-(3-methoxyphenyl)quinazoline?
2-(4-ethylphenyl)-7-(1H-indol-5-yl)-4-(3-methoxyphenyl)quinazoline has a molecular weight of 455.56 g/mol, XLogP of 7.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-7-(1H-indol-5-yl)-4-(3-methoxyphenyl)quinazoline is sourced from PubChem (CID 50911063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).