6-chloro-3-[2-(4-methylphenyl)ethyl]-1,4-dihydroquinazolin-2-one

C17H17ClN2O — CID 46232630

IUPAC6-chloro-3-[2-(4-methylphenyl)ethyl]-1,4-dihydroquinazolin-2-one
SMILESCc1ccc(CCN2Cc3cc(Cl)ccc3NC2=O)cc1
InChIInChI=1S/C17H17ClN2O/c1-12-2-4-13(5-3-12)8-9-20-11-14-10-15(18)6-7-16(14)19-17(20)21/h2-7,10H,8-9,11H2,1H3,(H,19,21)
InChIKeyJRQCNUKJRUMYNX-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.24
Rot. Bonds3

About 6-chloro-3-[2-(4-methylphenyl)ethyl]-1,4-dihydroquinazolin-2-one

6-chloro-3-[2-(4-methylphenyl)ethyl]-1,4-dihydroquinazolin-2-one (PubChem CID 46232630) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 6-chloro-3-[2-(4-methylphenyl)ethyl]-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[2-(4-methylphenyl)ethyl]-1,4-dihydroquinazolin-2-one
PubChem CID46232630
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name6-chloro-3-[2-(4-methylphenyl)ethyl]-1,4-dihydroquinazolin-2-one
SMILESCc1ccc(CCN2Cc3cc(Cl)ccc3NC2=O)cc1
InChIInChI=1S/C17H17ClN2O/c1-12-2-4-13(5-3-12)8-9-20-11-14-10-15(18)6-7-16(14)19-17(20)21/h2-7,10H,8-9,11H2,1H3,(H,19,21)
InChIKeyJRQCNUKJRUMYNX-UHFFFAOYSA-N
XLogP4.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-(4-methylphenyl)ethyl]-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6-chloro-3-[2-(4-methylphenyl)ethyl]-1,4-dihydroquinazolin-2-one (CID 46232630) is 6-chloro-3-[2-(4-methylphenyl)ethyl]-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-chloro-3-[2-(4-methylphenyl)ethyl]-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-chloro-3-[2-(4-methylphenyl)ethyl]-1,4-dihydroquinazolin-2-one is Cc1ccc(CCN2Cc3cc(Cl)ccc3NC2=O)cc1.
What is the InChIKey of 6-chloro-3-[2-(4-methylphenyl)ethyl]-1,4-dihydroquinazolin-2-one?
The InChIKey is JRQCNUKJRUMYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-12-2-4-13(5-3-12)8-9-20-11-14-10-15(18)6-7-16(14)19-17(20)21/h2-7,10H,8-9,11H2,1H3,(H,19,21).
What are the key properties of 6-chloro-3-[2-(4-methylphenyl)ethyl]-1,4-dihydroquinazolin-2-one?
6-chloro-3-[2-(4-methylphenyl)ethyl]-1,4-dihydroquinazolin-2-one has a molecular weight of 300.79 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(4-methylphenyl)ethyl]-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 46232630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).