3-cyclohexyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one

C21H24N2O2 — CID 590355

IUPAC3-cyclohexyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(C2Nc3ccccc3C(=O)N2C2CCCCC2)cc1
InChIInChI=1S/C21H24N2O2/c1-25-17-13-11-15(12-14-17)20-22-19-10-6-5-9-18(19)21(24)23(20)16-7-3-2-4-8-16/h5-6,9-14,16,20,22H,2-4,7-8H2,1H3
InChIKeyLXTHSKYCMOLNLE-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.59
Rot. Bonds3

About 3-cyclohexyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one

3-cyclohexyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 590355) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-cyclohexyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-cyclohexyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID590355
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name3-cyclohexyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(C2Nc3ccccc3C(=O)N2C2CCCCC2)cc1
InChIInChI=1S/C21H24N2O2/c1-25-17-13-11-15(12-14-17)20-22-19-10-6-5-9-18(19)21(24)23(20)16-7-3-2-4-8-16/h5-6,9-14,16,20,22H,2-4,7-8H2,1H3
InChIKeyLXTHSKYCMOLNLE-UHFFFAOYSA-N
XLogP4.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-cyclohexyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 590355) is 3-cyclohexyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-cyclohexyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-cyclohexyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one is COc1ccc(C2Nc3ccccc3C(=O)N2C2CCCCC2)cc1.
What is the InChIKey of 3-cyclohexyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is LXTHSKYCMOLNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-25-17-13-11-15(12-14-17)20-22-19-10-6-5-9-18(19)21(24)23(20)16-7-3-2-4-8-16/h5-6,9-14,16,20,22H,2-4,7-8H2,1H3.
What are the key properties of 3-cyclohexyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
3-cyclohexyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 336.44 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 590355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).