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

C20H20Cl2N2O — CID 2927326

IUPAC3-cyclohexyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccc(Cl)cc2Cl)N1C1CCCCC1
InChIInChI=1S/C20H20Cl2N2O/c21-13-10-11-15(17(22)12-13)19-23-18-9-5-4-8-16(18)20(25)24(19)14-6-2-1-3-7-14/h4-5,8-12,14,19,23H,1-3,6-7H2
InChIKeyFNHUNCKPPUDQBN-UHFFFAOYSA-N
MW375.30 g/mol
LogP5.89
Rot. Bonds2

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

3-cyclohexyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 2927326) has the molecular formula C20H20Cl2N2O and a molecular weight of 375.30 g/mol. Its IUPAC name is 3-cyclohexyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-cyclohexyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one
PubChem CID2927326
Molecular FormulaC20H20Cl2N2O
Molecular Weight375.30 g/mol
Exact Mass374.10
IUPAC Name3-cyclohexyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccc(Cl)cc2Cl)N1C1CCCCC1
InChIInChI=1S/C20H20Cl2N2O/c21-13-10-11-15(17(22)12-13)19-23-18-9-5-4-8-16(18)20(25)24(19)14-6-2-1-3-7-14/h4-5,8-12,14,19,23H,1-3,6-7H2
InChIKeyFNHUNCKPPUDQBN-UHFFFAOYSA-N
XLogP5.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.30
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-Chlorophenyl)-1,2-dihydro-4(3H)-quinazolinone
CID 3117363
Cloperidone
CID 10675
2-({3-[(3,5-Dichlorobenzyl)amino]propyl}amino)quinolin-4(1h)-One
CID 18353708
2-Phenyl-2,3-dihydroquinazolin-4(1h)-one
CID 270800
3-benzyl-2-(4-fluorophenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 3817031
Mls002702065
CID 300570
3-(3-chlorophenyl)quinazoline-2,4(1H,3H)-dione
CID 659914
3-(4-chlorobenzyl)-N-(3-(4-methylpiperidin-1-yl)propyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
CID 6616154
Cloperidone Hydrochloride
CID 10674
1-(4-Chloro-benzyl)-2,2-diisobutyl-2,3-dihydro-1H-quinazolin-4-one (2af)
CID 126962549

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-cyclohexyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one (CID 2927326) is 3-cyclohexyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-cyclohexyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-cyclohexyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2ccc(Cl)cc2Cl)N1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is FNHUNCKPPUDQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O/c21-13-10-11-15(17(22)12-13)19-23-18-9-5-4-8-16(18)20(25)24(19)14-6-2-1-3-7-14/h4-5,8-12,14,19,23H,1-3,6-7H2.
What are the key properties of 3-cyclohexyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one?
3-cyclohexyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 375.30 g/mol, XLogP of 5.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 2927326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).