benzene;4-methylquinazoline

C15H14N2 — CID 174274782

IUPACbenzene;4-methylquinazoline
SMILESCc1ncnc2ccccc12.c1ccccc1
InChIInChI=1S/C9H8N2.C6H6/c1-7-8-4-2-3-5-9(8)11-6-10-7;1-2-4-6-5-3-1/h2-6H,1H3;1-6H
InChIKeyBJXNTGFDRBLZAF-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.62
Rot. Bonds

About benzene;4-methylquinazoline

benzene;4-methylquinazoline (PubChem CID 174274782) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is benzene;4-methylquinazoline.

Molecular Properties

Compound Namebenzene;4-methylquinazoline
PubChem CID174274782
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Namebenzene;4-methylquinazoline
SMILESCc1ncnc2ccccc12.c1ccccc1
InChIInChI=1S/C9H8N2.C6H6/c1-7-8-4-2-3-5-9(8)11-6-10-7;1-2-4-6-5-3-1/h2-6H,1H3;1-6H
InChIKeyBJXNTGFDRBLZAF-UHFFFAOYSA-N
XLogP3.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzene;4-methylquinazoline?
The IUPAC name of benzene;4-methylquinazoline (CID 174274782) is benzene;4-methylquinazoline.
What is the SMILES notation for benzene;4-methylquinazoline?
The canonical SMILES for benzene;4-methylquinazoline is Cc1ncnc2ccccc12.c1ccccc1.
What is the InChIKey of benzene;4-methylquinazoline?
The InChIKey is BJXNTGFDRBLZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.C6H6/c1-7-8-4-2-3-5-9(8)11-6-10-7;1-2-4-6-5-3-1/h2-6H,1H3;1-6H.
What are the key properties of benzene;4-methylquinazoline?
benzene;4-methylquinazoline has a molecular weight of 222.29 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;4-methylquinazoline is sourced from PubChem (CID 174274782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).