3-(2,6-dichlorophenyl)-2-(2-methylpropyl)quinazolin-4-one

C18H16Cl2N2O — CID 802442

IUPAC3-(2,6-dichlorophenyl)-2-(2-methylpropyl)quinazolin-4-one
SMILESCC(C)Cc1nc2ccccc2c(=O)n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C18H16Cl2N2O/c1-11(2)10-16-21-15-9-4-3-6-12(15)18(23)22(16)17-13(19)7-5-8-14(17)20/h3-9,11H,10H2,1-2H3
InChIKeyDZWQAVVCNOXABL-UHFFFAOYSA-N
MW347.25 g/mol
LogP4.89
Rot. Bonds3

About 3-(2,6-dichlorophenyl)-2-(2-methylpropyl)quinazolin-4-one

3-(2,6-dichlorophenyl)-2-(2-methylpropyl)quinazolin-4-one (PubChem CID 802442) has the molecular formula C18H16Cl2N2O and a molecular weight of 347.25 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-2-(2-methylpropyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-2-(2-methylpropyl)quinazolin-4-one
PubChem CID802442
Molecular FormulaC18H16Cl2N2O
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC Name3-(2,6-dichlorophenyl)-2-(2-methylpropyl)quinazolin-4-one
SMILESCC(C)Cc1nc2ccccc2c(=O)n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C18H16Cl2N2O/c1-11(2)10-16-21-15-9-4-3-6-12(15)18(23)22(16)17-13(19)7-5-8-14(17)20/h3-9,11H,10H2,1-2H3
InChIKeyDZWQAVVCNOXABL-UHFFFAOYSA-N
XLogP4.89
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 ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropyl)-3-(2-nitrophenyl)quinazolin-4-one
CID 23877553
3-(2,6-dichlorophenyl)-2-[(4-ethylpiperazin-1-yl)methyl]quinazolin-4-one;3-(2,6-dichlorophenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one
CID 143270235
3-(2,6-dichlorophenyl)-2-[2-(4-propan-2-ylphenyl)ethenyl]quinazolin-4-one
CID 3837276
2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]acetaldehyde
CID 22990475
3-(2,6-dichlorophenyl)-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]quinazolin-4-one
CID 4646179
2-(2,3-dichloroanilino)-3-(2-methylpropyl)quinazolin-4-one
CID 11100528
3-(2,6-dichlorophenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 5168342
[(1R)-1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methylpropyl)azanium
CID 6961786
N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide
CID 70838498
3-(2,6-dichlorophenyl)-2-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one
CID 11841509
3-(2,6-dichlorophenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-1,3-diazecin-4-one;3-(2,6-dichlorophenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one
CID 158062190
2-ethyl-3-phenylquinazolin-4-one
CID 719985

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-2-(2-methylpropyl)quinazolin-4-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-2-(2-methylpropyl)quinazolin-4-one (CID 802442) is 3-(2,6-dichlorophenyl)-2-(2-methylpropyl)quinazolin-4-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-2-(2-methylpropyl)quinazolin-4-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-2-(2-methylpropyl)quinazolin-4-one is CC(C)Cc1nc2ccccc2c(=O)n1-c1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorophenyl)-2-(2-methylpropyl)quinazolin-4-one?
The InChIKey is DZWQAVVCNOXABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O/c1-11(2)10-16-21-15-9-4-3-6-12(15)18(23)22(16)17-13(19)7-5-8-14(17)20/h3-9,11H,10H2,1-2H3.
What are the key properties of 3-(2,6-dichlorophenyl)-2-(2-methylpropyl)quinazolin-4-one?
3-(2,6-dichlorophenyl)-2-(2-methylpropyl)quinazolin-4-one has a molecular weight of 347.25 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-2-(2-methylpropyl)quinazolin-4-one is sourced from PubChem (CID 802442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).