2-(3-chlorophenyl)-2,3-dihydro-1H-quinazolin-4-one

C14H11ClN2O — CID 3117363

IUPAC2-(3-chlorophenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(c2cccc(Cl)c2)Nc2ccccc21
InChIInChI=1S/C14H11ClN2O/c15-10-5-3-4-9(8-10)13-16-12-7-2-1-6-11(12)14(18)17-13/h1-8,13,16H,(H,17,18)
InChIKeyCHTHIDWUTAJPBR-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.19
Rot. Bonds1

About 2-(3-chlorophenyl)-2,3-dihydro-1H-quinazolin-4-one

2-(3-chlorophenyl)-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 3117363) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2,3-dihydro-1H-quinazolin-4-one
PubChem CID3117363
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name2-(3-chlorophenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(c2cccc(Cl)c2)Nc2ccccc21
InChIInChI=1S/C14H11ClN2O/c15-10-5-3-4-9(8-10)13-16-12-7-2-1-6-11(12)14(18)17-13/h1-8,13,16H,(H,17,18)
InChIKeyCHTHIDWUTAJPBR-UHFFFAOYSA-N
XLogP3.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-Dichlorophenyl)-6-fluoroquinazoline-2,4(1H,3H)-dione
CID 4021277
3-(2-chloroethyl)(1H,3H)quinazoline-2,4-dione
CID 78766
3-Propyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 4344644
2-(4-Chlorophenyl)-1,2-dihydro-4(3H)-quinazolinone
CID 2807156
2-(4-(dimethylamino)phenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 3157451
2,3-Dihydro-2-(4-methylphenyl)-4(1H)-quinazolinone
CID 2818760
2,3-Dihydro-2-methyl-4(1H)-quinazolinone
CID 14807234
2,3-Dihydro-2-(3-methylphenyl)-4(1H)-quinazolinone
CID 292559
3-Allyl-2-mercapto-3H-quinazolin-4-one
CID 657947
3-(2-Phenylethyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
CID 696887
2-(4-Bromo-phenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 3117357
2-(4-Phenylphenyl)-1,2,3,4-tetrahydroquinazolin-4-one
CID 4793207

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-2,3-dihydro-1H-quinazolin-4-one (CID 3117363) is 2-(3-chlorophenyl)-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-2,3-dihydro-1H-quinazolin-4-one is O=C1NC(c2cccc(Cl)c2)Nc2ccccc21.
What is the InChIKey of 2-(3-chlorophenyl)-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is CHTHIDWUTAJPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c15-10-5-3-4-9(8-10)13-16-12-7-2-1-6-11(12)14(18)17-13/h1-8,13,16H,(H,17,18).
What are the key properties of 2-(3-chlorophenyl)-2,3-dihydro-1H-quinazolin-4-one?
2-(3-chlorophenyl)-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 258.71 g/mol, XLogP of 3.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 3117363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).