7-chloro-2-(4-ethylphenyl)-4-(3-methoxyphenyl)quinazoline

C23H19ClN2O — CID 50911062

IUPAC7-chloro-2-(4-ethylphenyl)-4-(3-methoxyphenyl)quinazoline
SMILESCCc1ccc(-c2nc(-c3cccc(OC)c3)c3ccc(Cl)cc3n2)cc1
InChIInChI=1S/C23H19ClN2O/c1-3-15-7-9-16(10-8-15)23-25-21-14-18(24)11-12-20(21)22(26-23)17-5-4-6-19(13-17)27-2/h4-14H,3H2,1-2H3
InChIKeyTWHGLWXQSNMISM-UHFFFAOYSA-N
MW374.87 g/mol
LogP6.19
Rot. Bonds4

About 7-chloro-2-(4-ethylphenyl)-4-(3-methoxyphenyl)quinazoline

7-chloro-2-(4-ethylphenyl)-4-(3-methoxyphenyl)quinazoline (PubChem CID 50911062) has the molecular formula C23H19ClN2O and a molecular weight of 374.87 g/mol. Its IUPAC name is 7-chloro-2-(4-ethylphenyl)-4-(3-methoxyphenyl)quinazoline.

Molecular Properties

Compound Name7-chloro-2-(4-ethylphenyl)-4-(3-methoxyphenyl)quinazoline
PubChem CID50911062
Molecular FormulaC23H19ClN2O
Molecular Weight374.87 g/mol
Exact Mass374.12
IUPAC Name7-chloro-2-(4-ethylphenyl)-4-(3-methoxyphenyl)quinazoline
SMILESCCc1ccc(-c2nc(-c3cccc(OC)c3)c3ccc(Cl)cc3n2)cc1
InChIInChI=1S/C23H19ClN2O/c1-3-15-7-9-16(10-8-15)23-25-21-14-18(24)11-12-20(21)22(26-23)17-5-4-6-19(13-17)27-2/h4-14H,3H2,1-2H3
InChIKeyTWHGLWXQSNMISM-UHFFFAOYSA-N
XLogP6.19
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.87
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenyl)-7-(1H-indol-5-yl)-4-(3-methoxyphenyl)quinazoline
CID 50911063
4-chloro-6-ethyl-2-(4-methoxyphenyl)quinazoline
CID 114590653
4-chloro-2-(3-methoxyphenyl)-7-methylquinazoline
CID 174533075
6-methoxy-4-(4-methoxyphenyl)-2-phenylquinazoline
CID 101425277
4-chloro-6,7-dimethoxy-2-(3-methoxyphenyl)quinazoline
CID 57328585
7-bromo-4-chloro-2-(3-methoxyphenyl)quinazoline
CID 114590534
1-(4-chlorophenyl)-3-(4-ethylphenyl)-8-methoxypyrazolo[4,3-c]quinoline
CID 20852791
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
6-bromo-4-chloro-7-fluoro-2-(3-methoxyphenyl)quinazoline
CID 114591292
7-fluoro-2-(3-methoxyphenyl)quinazolin-4-amine
CID 64983270
4,7-dichloro-2-(4-phenylphenyl)quinazoline
CID 87604357
ethyl 4-(6-methoxy-2-phenylquinazolin-4-yl)benzoate
CID 101425278

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(4-ethylphenyl)-4-(3-methoxyphenyl)quinazoline?
The IUPAC name of 7-chloro-2-(4-ethylphenyl)-4-(3-methoxyphenyl)quinazoline (CID 50911062) is 7-chloro-2-(4-ethylphenyl)-4-(3-methoxyphenyl)quinazoline.
What is the SMILES notation for 7-chloro-2-(4-ethylphenyl)-4-(3-methoxyphenyl)quinazoline?
The canonical SMILES for 7-chloro-2-(4-ethylphenyl)-4-(3-methoxyphenyl)quinazoline is CCc1ccc(-c2nc(-c3cccc(OC)c3)c3ccc(Cl)cc3n2)cc1.
What is the InChIKey of 7-chloro-2-(4-ethylphenyl)-4-(3-methoxyphenyl)quinazoline?
The InChIKey is TWHGLWXQSNMISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O/c1-3-15-7-9-16(10-8-15)23-25-21-14-18(24)11-12-20(21)22(26-23)17-5-4-6-19(13-17)27-2/h4-14H,3H2,1-2H3.
What are the key properties of 7-chloro-2-(4-ethylphenyl)-4-(3-methoxyphenyl)quinazoline?
7-chloro-2-(4-ethylphenyl)-4-(3-methoxyphenyl)quinazoline has a molecular weight of 374.87 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(4-ethylphenyl)-4-(3-methoxyphenyl)quinazoline is sourced from PubChem (CID 50911062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).