4-chloro-2-(3-methoxyphenyl)-7-methylquinazoline

C16H13ClN2O — CID 174533075

IUPAC4-chloro-2-(3-methoxyphenyl)-7-methylquinazoline
SMILESCOc1cccc(-c2nc(Cl)c3ccc(C)cc3n2)c1
InChIInChI=1S/C16H13ClN2O/c1-10-6-7-13-14(8-10)18-16(19-15(13)17)11-4-3-5-12(9-11)20-2/h3-9H,1-2H3
InChIKeyUNPSCHZDCKTTFO-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.27
Rot. Bonds2

About 4-chloro-2-(3-methoxyphenyl)-7-methylquinazoline

4-chloro-2-(3-methoxyphenyl)-7-methylquinazoline (PubChem CID 174533075) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 4-chloro-2-(3-methoxyphenyl)-7-methylquinazoline.

Molecular Properties

Compound Name4-chloro-2-(3-methoxyphenyl)-7-methylquinazoline
PubChem CID174533075
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name4-chloro-2-(3-methoxyphenyl)-7-methylquinazoline
SMILESCOc1cccc(-c2nc(Cl)c3ccc(C)cc3n2)c1
InChIInChI=1S/C16H13ClN2O/c1-10-6-7-13-14(8-10)18-16(19-15(13)17)11-4-3-5-12(9-11)20-2/h3-9H,1-2H3
InChIKeyUNPSCHZDCKTTFO-UHFFFAOYSA-N
XLogP4.27
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-4-chloro-2-(3-methoxyphenyl)quinazoline
CID 114590534
2-(3-methoxyphenyl)-7-methylquinazolin-4-amine
CID 71193032
4-chloro-6,7-dimethoxy-2-(3-methoxyphenyl)quinazoline
CID 57328585
6-bromo-4-chloro-7-fluoro-2-(3-methoxyphenyl)quinazoline
CID 114591292
4,6-dichloro-5-fluoro-2-(3-methoxyphenyl)pyrimidine
CID 80550230
4-chloro-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidine
CID 62178883
4-chloro-2-(2-fluoro-5-methylphenyl)-7-methoxyquinazoline
CID 114590560
4-chloro-8-fluoro-2-(3-methoxyphenyl)quinazoline
CID 114590465
2,4-bis(3-methoxyphenyl)-6-[4-[4-[4-(3-methoxyphenyl)-6-(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 20652055
4-chloro-2-(2,3-dimethylphenyl)-7-methoxyquinazoline
CID 114590549
1-chloro-3-(2,6-dimethylphenyl)-4-(3-methoxyphenyl)-6-methylisoquinoline
CID 154487575
7-fluoro-2-(3-methoxyphenyl)quinazolin-4-amine
CID 64983270

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-methoxyphenyl)-7-methylquinazoline?
The IUPAC name of 4-chloro-2-(3-methoxyphenyl)-7-methylquinazoline (CID 174533075) is 4-chloro-2-(3-methoxyphenyl)-7-methylquinazoline.
What is the SMILES notation for 4-chloro-2-(3-methoxyphenyl)-7-methylquinazoline?
The canonical SMILES for 4-chloro-2-(3-methoxyphenyl)-7-methylquinazoline is COc1cccc(-c2nc(Cl)c3ccc(C)cc3n2)c1.
What is the InChIKey of 4-chloro-2-(3-methoxyphenyl)-7-methylquinazoline?
The InChIKey is UNPSCHZDCKTTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-10-6-7-13-14(8-10)18-16(19-15(13)17)11-4-3-5-12(9-11)20-2/h3-9H,1-2H3.
What are the key properties of 4-chloro-2-(3-methoxyphenyl)-7-methylquinazoline?
4-chloro-2-(3-methoxyphenyl)-7-methylquinazoline has a molecular weight of 284.75 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-methoxyphenyl)-7-methylquinazoline is sourced from PubChem (CID 174533075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).