1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one

C16H15ClN2O — CID 3249189

IUPAC1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one
SMILESCCC1NC(=O)c2ccccc2N1c1cccc(Cl)c1
InChIInChI=1S/C16H15ClN2O/c1-2-15-18-16(20)13-8-3-4-9-14(13)19(15)12-7-5-6-11(17)10-12/h3-10,15H,2H2,1H3,(H,18,20)
InChIKeyVBYRNLRQVMTJIE-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.96
Rot. Bonds2

About 1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one

1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one (PubChem CID 3249189) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one
PubChem CID3249189
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one
SMILESCCC1NC(=O)c2ccccc2N1c1cccc(Cl)c1
InChIInChI=1S/C16H15ClN2O/c1-2-15-18-16(20)13-8-3-4-9-14(13)19(15)12-7-5-6-11(17)10-12/h3-10,15H,2H2,1H3,(H,18,20)
InChIKeyVBYRNLRQVMTJIE-UHFFFAOYSA-N
XLogP3.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one?
The IUPAC name of 1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one (CID 3249189) is 1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one.
What is the SMILES notation for 1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one?
The canonical SMILES for 1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one is CCC1NC(=O)c2ccccc2N1c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one?
The InChIKey is VBYRNLRQVMTJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-2-15-18-16(20)13-8-3-4-9-14(13)19(15)12-7-5-6-11(17)10-12/h3-10,15H,2H2,1H3,(H,18,20).
What are the key properties of 1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one?
1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one has a molecular weight of 286.76 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one is sourced from PubChem (CID 3249189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).