4-chloro-8-methoxy-5-methyl-2-(4-methylphenyl)quinazoline

C17H15ClN2O — CID 114589935

IUPAC4-chloro-8-methoxy-5-methyl-2-(4-methylphenyl)quinazoline
SMILESCOc1ccc(C)c2c(Cl)nc(-c3ccc(C)cc3)nc12
InChIInChI=1S/C17H15ClN2O/c1-10-4-7-12(8-5-10)17-19-15-13(21-3)9-6-11(2)14(15)16(18)20-17/h4-9H,1-3H3
InChIKeyBLNQKXRXJCEXLN-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.58
Rot. Bonds2

About 4-chloro-8-methoxy-5-methyl-2-(4-methylphenyl)quinazoline

4-chloro-8-methoxy-5-methyl-2-(4-methylphenyl)quinazoline (PubChem CID 114589935) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 4-chloro-8-methoxy-5-methyl-2-(4-methylphenyl)quinazoline.

Molecular Properties

Compound Name4-chloro-8-methoxy-5-methyl-2-(4-methylphenyl)quinazoline
PubChem CID114589935
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name4-chloro-8-methoxy-5-methyl-2-(4-methylphenyl)quinazoline
SMILESCOc1ccc(C)c2c(Cl)nc(-c3ccc(C)cc3)nc12
InChIInChI=1S/C17H15ClN2O/c1-10-4-7-12(8-5-10)17-19-15-13(21-3)9-6-11(2)14(15)16(18)20-17/h4-9H,1-3H3
InChIKeyBLNQKXRXJCEXLN-UHFFFAOYSA-N
XLogP4.58
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-methoxy-5-methyl-2-(4-methylphenyl)quinazoline?
The IUPAC name of 4-chloro-8-methoxy-5-methyl-2-(4-methylphenyl)quinazoline (CID 114589935) is 4-chloro-8-methoxy-5-methyl-2-(4-methylphenyl)quinazoline.
What is the SMILES notation for 4-chloro-8-methoxy-5-methyl-2-(4-methylphenyl)quinazoline?
The canonical SMILES for 4-chloro-8-methoxy-5-methyl-2-(4-methylphenyl)quinazoline is COc1ccc(C)c2c(Cl)nc(-c3ccc(C)cc3)nc12.
What is the InChIKey of 4-chloro-8-methoxy-5-methyl-2-(4-methylphenyl)quinazoline?
The InChIKey is BLNQKXRXJCEXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-10-4-7-12(8-5-10)17-19-15-13(21-3)9-6-11(2)14(15)16(18)20-17/h4-9H,1-3H3.
What are the key properties of 4-chloro-8-methoxy-5-methyl-2-(4-methylphenyl)quinazoline?
4-chloro-8-methoxy-5-methyl-2-(4-methylphenyl)quinazoline has a molecular weight of 298.77 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-methoxy-5-methyl-2-(4-methylphenyl)quinazoline is sourced from PubChem (CID 114589935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).