4-chloro-6-ethyl-2-(4-methoxyphenyl)quinazoline

C17H15ClN2O — CID 114590653

IUPAC4-chloro-6-ethyl-2-(4-methoxyphenyl)quinazoline
SMILESCCc1ccc2nc(-c3ccc(OC)cc3)nc(Cl)c2c1
InChIInChI=1S/C17H15ClN2O/c1-3-11-4-9-15-14(10-11)16(18)20-17(19-15)12-5-7-13(21-2)8-6-12/h4-10H,3H2,1-2H3
InChIKeyUBYIRRTVSUEVAQ-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.52
Rot. Bonds3

About 4-chloro-6-ethyl-2-(4-methoxyphenyl)quinazoline

4-chloro-6-ethyl-2-(4-methoxyphenyl)quinazoline (PubChem CID 114590653) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 4-chloro-6-ethyl-2-(4-methoxyphenyl)quinazoline.

Molecular Properties

Compound Name4-chloro-6-ethyl-2-(4-methoxyphenyl)quinazoline
PubChem CID114590653
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name4-chloro-6-ethyl-2-(4-methoxyphenyl)quinazoline
SMILESCCc1ccc2nc(-c3ccc(OC)cc3)nc(Cl)c2c1
InChIInChI=1S/C17H15ClN2O/c1-3-11-4-9-15-14(10-11)16(18)20-17(19-15)12-5-7-13(21-2)8-6-12/h4-10H,3H2,1-2H3
InChIKeyUBYIRRTVSUEVAQ-UHFFFAOYSA-N
XLogP4.52
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(4-chlorophenyl)-6-propylquinazoline
CID 114590719
4-chloro-6-ethyl-2-(2-fluoro-3-methylphenyl)quinazoline
CID 114590671
4,5,6-trichloro-2-(4-ethylphenyl)pyrimidine
CID 87337394
7-chloro-2-(4-ethylphenyl)-4-(3-methoxyphenyl)quinazoline
CID 50911062
4,6-dichloro-5-ethyl-2-(4-ethylphenyl)pyrimidine
CID 63611306
4-chloro-6-methoxy-2-propylquinazoline
CID 106584452
4-chloro-6-methoxy-2-(5-methylthiophen-2-yl)quinazoline
CID 63086379
4-chloro-6-(5-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline
CID 89417196
4,6-dichloro-2-(4-ethylphenyl)-5-fluoropyrimidine
CID 80550252
4,6-dichloro-2-(4-propan-2-ylphenyl)quinazoline
CID 63496784
6-methoxy-4-(4-methoxyphenyl)-2-phenylquinazoline
CID 101425277
4-chloro-2-(4-ethylphenyl)-6,8-dimethylquinazoline
CID 114590394

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethyl-2-(4-methoxyphenyl)quinazoline?
The IUPAC name of 4-chloro-6-ethyl-2-(4-methoxyphenyl)quinazoline (CID 114590653) is 4-chloro-6-ethyl-2-(4-methoxyphenyl)quinazoline.
What is the SMILES notation for 4-chloro-6-ethyl-2-(4-methoxyphenyl)quinazoline?
The canonical SMILES for 4-chloro-6-ethyl-2-(4-methoxyphenyl)quinazoline is CCc1ccc2nc(-c3ccc(OC)cc3)nc(Cl)c2c1.
What is the InChIKey of 4-chloro-6-ethyl-2-(4-methoxyphenyl)quinazoline?
The InChIKey is UBYIRRTVSUEVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-3-11-4-9-15-14(10-11)16(18)20-17(19-15)12-5-7-13(21-2)8-6-12/h4-10H,3H2,1-2H3.
What are the key properties of 4-chloro-6-ethyl-2-(4-methoxyphenyl)quinazoline?
4-chloro-6-ethyl-2-(4-methoxyphenyl)quinazoline has a molecular weight of 298.77 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-2-(4-methoxyphenyl)quinazoline is sourced from PubChem (CID 114590653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).