4-chloro-7-methoxy-2-propan-2-ylquinazoline

C12H13ClN2O — CID 106584178

IUPAC4-chloro-7-methoxy-2-propan-2-ylquinazoline
SMILESCOc1ccc2c(Cl)nc(C(C)C)nc2c1
InChIInChI=1S/C12H13ClN2O/c1-7(2)12-14-10-6-8(16-3)4-5-9(10)11(13)15-12/h4-7H,1-3H3
InChIKeyGWIMGIMNFBJTHG-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.42
Rot. Bonds2

About 4-chloro-7-methoxy-2-propan-2-ylquinazoline

4-chloro-7-methoxy-2-propan-2-ylquinazoline (PubChem CID 106584178) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 4-chloro-7-methoxy-2-propan-2-ylquinazoline.

Molecular Properties

Compound Name4-chloro-7-methoxy-2-propan-2-ylquinazoline
PubChem CID106584178
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name4-chloro-7-methoxy-2-propan-2-ylquinazoline
SMILESCOc1ccc2c(Cl)nc(C(C)C)nc2c1
InChIInChI=1S/C12H13ClN2O/c1-7(2)12-14-10-6-8(16-3)4-5-9(10)11(13)15-12/h4-7H,1-3H3
InChIKeyGWIMGIMNFBJTHG-UHFFFAOYSA-N
XLogP3.42
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-4-chloro-2-propan-2-ylquinazoline
CID 53404537
1-(7-methoxy-4-methylquinazolin-2-yl)ethanamine
CID 105471322
4-chloro-2-cyclobutyl-7-methoxyquinazoline
CID 90237162
2-chloro-3-fluoro-7-methoxyquinoline
CID 22030591
4-chloro-6-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine
CID 80970109
4-chloro-2-(2-chloro-3-fluorophenyl)-7-methoxyquinazoline
CID 114590589
4-chloro-2-(2,3-dimethylphenyl)-7-methoxyquinazoline
CID 114590549
4-chloro-2-(2-fluoro-5-methylphenyl)-7-methoxyquinazoline
CID 114590560
4-chloro-6-(3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine
CID 80975932
4-chloro-6-(3-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidine
CID 80973916
2-chloro-7-methoxy-4-(4-methoxyphenyl)quinoline
CID 139231038
4-chloro-7-methoxy-2-(4-propan-2-yloxyphenyl)quinoline
CID 70978267

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-methoxy-2-propan-2-ylquinazoline?
The IUPAC name of 4-chloro-7-methoxy-2-propan-2-ylquinazoline (CID 106584178) is 4-chloro-7-methoxy-2-propan-2-ylquinazoline.
What is the SMILES notation for 4-chloro-7-methoxy-2-propan-2-ylquinazoline?
The canonical SMILES for 4-chloro-7-methoxy-2-propan-2-ylquinazoline is COc1ccc2c(Cl)nc(C(C)C)nc2c1.
What is the InChIKey of 4-chloro-7-methoxy-2-propan-2-ylquinazoline?
The InChIKey is GWIMGIMNFBJTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-7(2)12-14-10-6-8(16-3)4-5-9(10)11(13)15-12/h4-7H,1-3H3.
What are the key properties of 4-chloro-7-methoxy-2-propan-2-ylquinazoline?
4-chloro-7-methoxy-2-propan-2-ylquinazoline has a molecular weight of 236.70 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-methoxy-2-propan-2-ylquinazoline is sourced from PubChem (CID 106584178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).