6-chloro-3-(2-cyclohexylethyl)-1,4-dihydroquinazolin-2-one

C16H21ClN2O — CID 46232634

IUPAC6-chloro-3-(2-cyclohexylethyl)-1,4-dihydroquinazolin-2-one
SMILESO=C1Nc2ccc(Cl)cc2CN1CCC1CCCCC1
InChIInChI=1S/C16H21ClN2O/c17-14-6-7-15-13(10-14)11-19(16(20)18-15)9-8-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,11H2,(H,18,20)
InChIKeyGEEYUONLASMZIK-UHFFFAOYSA-N
MW292.81 g/mol
LogP4.66
Rot. Bonds3

About 6-chloro-3-(2-cyclohexylethyl)-1,4-dihydroquinazolin-2-one

6-chloro-3-(2-cyclohexylethyl)-1,4-dihydroquinazolin-2-one (PubChem CID 46232634) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 6-chloro-3-(2-cyclohexylethyl)-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-chloro-3-(2-cyclohexylethyl)-1,4-dihydroquinazolin-2-one
PubChem CID46232634
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name6-chloro-3-(2-cyclohexylethyl)-1,4-dihydroquinazolin-2-one
SMILESO=C1Nc2ccc(Cl)cc2CN1CCC1CCCCC1
InChIInChI=1S/C16H21ClN2O/c17-14-6-7-15-13(10-14)11-19(16(20)18-15)9-8-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,11H2,(H,18,20)
InChIKeyGEEYUONLASMZIK-UHFFFAOYSA-N
XLogP4.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-cyclohexylethyl)-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6-chloro-3-(2-cyclohexylethyl)-1,4-dihydroquinazolin-2-one (CID 46232634) is 6-chloro-3-(2-cyclohexylethyl)-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-chloro-3-(2-cyclohexylethyl)-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-chloro-3-(2-cyclohexylethyl)-1,4-dihydroquinazolin-2-one is O=C1Nc2ccc(Cl)cc2CN1CCC1CCCCC1.
What is the InChIKey of 6-chloro-3-(2-cyclohexylethyl)-1,4-dihydroquinazolin-2-one?
The InChIKey is GEEYUONLASMZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c17-14-6-7-15-13(10-14)11-19(16(20)18-15)9-8-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,11H2,(H,18,20).
What are the key properties of 6-chloro-3-(2-cyclohexylethyl)-1,4-dihydroquinazolin-2-one?
6-chloro-3-(2-cyclohexylethyl)-1,4-dihydroquinazolin-2-one has a molecular weight of 292.81 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-cyclohexylethyl)-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 46232634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).