6,8-dichloro-3-[(4-propan-2-ylphenyl)methyl]quinazolin-4-one

C18H16Cl2N2O — CID 7628762

IUPAC6,8-dichloro-3-[(4-propan-2-ylphenyl)methyl]quinazolin-4-one
SMILESCC(C)c1ccc(Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1
InChIInChI=1S/C18H16Cl2N2O/c1-11(2)13-5-3-12(4-6-13)9-22-10-21-17-15(18(22)23)7-14(19)8-16(17)20/h3-8,10-11H,9H2,1-2H3
InChIKeyXIJCGGSVBWLAIX-UHFFFAOYSA-N
MW347.25 g/mol
LogP4.88
Rot. Bonds3

About 6,8-dichloro-3-[(4-propan-2-ylphenyl)methyl]quinazolin-4-one

6,8-dichloro-3-[(4-propan-2-ylphenyl)methyl]quinazolin-4-one (PubChem CID 7628762) has the molecular formula C18H16Cl2N2O and a molecular weight of 347.25 g/mol. Its IUPAC name is 6,8-dichloro-3-[(4-propan-2-ylphenyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name6,8-dichloro-3-[(4-propan-2-ylphenyl)methyl]quinazolin-4-one
PubChem CID7628762
Molecular FormulaC18H16Cl2N2O
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC Name6,8-dichloro-3-[(4-propan-2-ylphenyl)methyl]quinazolin-4-one
SMILESCC(C)c1ccc(Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1
InChIInChI=1S/C18H16Cl2N2O/c1-11(2)13-5-3-12(4-6-13)9-22-10-21-17-15(18(22)23)7-14(19)8-16(17)20/h3-8,10-11H,9H2,1-2H3
InChIKeyXIJCGGSVBWLAIX-UHFFFAOYSA-N
XLogP4.88
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7875332
propan-2-yl 2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetate
CID 7628751
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N,N-di(propan-2-yl)acetamide
CID 18195110
6,8-dichloro-3-[2-(4-ethylphenyl)-2-oxoethyl]quinazolin-4-one
CID 7875266
6,8-dichloro-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]quinazolin-4-one
CID 71997097
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 27912189
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 4809057
6,8-dichloro-3-[(1-propyltetrazol-5-yl)methyl]quinazolin-4-one
CID 27912192
6,8-dichloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one
CID 17459984
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39061483
6,8-dichloro-3-[2-hydroxy-3-(4-methoxyphenoxy)propyl]quinazolin-4-one
CID 42888318
6,8-dichloro-3-[3-(4-chlorophenoxy)-2-hydroxypropyl]quinazolin-4-one
CID 42942844

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-3-[(4-propan-2-ylphenyl)methyl]quinazolin-4-one?
The IUPAC name of 6,8-dichloro-3-[(4-propan-2-ylphenyl)methyl]quinazolin-4-one (CID 7628762) is 6,8-dichloro-3-[(4-propan-2-ylphenyl)methyl]quinazolin-4-one.
What is the SMILES notation for 6,8-dichloro-3-[(4-propan-2-ylphenyl)methyl]quinazolin-4-one?
The canonical SMILES for 6,8-dichloro-3-[(4-propan-2-ylphenyl)methyl]quinazolin-4-one is CC(C)c1ccc(Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1.
What is the InChIKey of 6,8-dichloro-3-[(4-propan-2-ylphenyl)methyl]quinazolin-4-one?
The InChIKey is XIJCGGSVBWLAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O/c1-11(2)13-5-3-12(4-6-13)9-22-10-21-17-15(18(22)23)7-14(19)8-16(17)20/h3-8,10-11H,9H2,1-2H3.
What are the key properties of 6,8-dichloro-3-[(4-propan-2-ylphenyl)methyl]quinazolin-4-one?
6,8-dichloro-3-[(4-propan-2-ylphenyl)methyl]quinazolin-4-one has a molecular weight of 347.25 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-3-[(4-propan-2-ylphenyl)methyl]quinazolin-4-one is sourced from PubChem (CID 7628762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).