6-chloro-1-(2-propan-2-ylphenyl)quinazolin-2-one

C17H15ClN2O — CID 172853674

IUPAC6-chloro-1-(2-propan-2-ylphenyl)quinazolin-2-one
SMILESCC(C)c1ccccc1-n1c(=O)ncc2cc(Cl)ccc21
InChIInChI=1S/C17H15ClN2O/c1-11(2)14-5-3-4-6-16(14)20-15-8-7-13(18)9-12(15)10-19-17(20)21/h3-11H,1-2H3
InChIKeyYKGILDGAOSUDFJ-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.16
Rot. Bonds2

About 6-chloro-1-(2-propan-2-ylphenyl)quinazolin-2-one

6-chloro-1-(2-propan-2-ylphenyl)quinazolin-2-one (PubChem CID 172853674) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 6-chloro-1-(2-propan-2-ylphenyl)quinazolin-2-one.

Molecular Properties

Compound Name6-chloro-1-(2-propan-2-ylphenyl)quinazolin-2-one
PubChem CID172853674
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name6-chloro-1-(2-propan-2-ylphenyl)quinazolin-2-one
SMILESCC(C)c1ccccc1-n1c(=O)ncc2cc(Cl)ccc21
InChIInChI=1S/C17H15ClN2O/c1-11(2)14-5-3-4-6-16(14)20-15-8-7-13(18)9-12(15)10-19-17(20)21/h3-11H,1-2H3
InChIKeyYKGILDGAOSUDFJ-UHFFFAOYSA-N
XLogP4.16
TPSA34.89 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 ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2-propan-2-ylphenyl)quinazolin-2-one?
The IUPAC name of 6-chloro-1-(2-propan-2-ylphenyl)quinazolin-2-one (CID 172853674) is 6-chloro-1-(2-propan-2-ylphenyl)quinazolin-2-one.
What is the SMILES notation for 6-chloro-1-(2-propan-2-ylphenyl)quinazolin-2-one?
The canonical SMILES for 6-chloro-1-(2-propan-2-ylphenyl)quinazolin-2-one is CC(C)c1ccccc1-n1c(=O)ncc2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-1-(2-propan-2-ylphenyl)quinazolin-2-one?
The InChIKey is YKGILDGAOSUDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-11(2)14-5-3-4-6-16(14)20-15-8-7-13(18)9-12(15)10-19-17(20)21/h3-11H,1-2H3.
What are the key properties of 6-chloro-1-(2-propan-2-ylphenyl)quinazolin-2-one?
6-chloro-1-(2-propan-2-ylphenyl)quinazolin-2-one has a molecular weight of 298.77 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2-propan-2-ylphenyl)quinazolin-2-one is sourced from PubChem (CID 172853674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).