7-(2-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

C21H24ClN3O — CID 665012

IUPAC7-(2-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCC1CC(C)CN(c2ncc3c(n2)CC(c2ccccc2Cl)CC3=O)C1
InChIInChI=1S/C21H24ClN3O/c1-13-7-14(2)12-25(11-13)21-23-10-17-19(24-21)8-15(9-20(17)26)16-5-3-4-6-18(16)22/h3-6,10,13-15H,7-9,11-12H2,1-2H3
InChIKeyXXOJCYWPOYETKL-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.53
Rot. Bonds2

About 7-(2-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

7-(2-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 665012) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name7-(2-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID665012
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name7-(2-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCC1CC(C)CN(c2ncc3c(n2)CC(c2ccccc2Cl)CC3=O)C1
InChIInChI=1S/C21H24ClN3O/c1-13-7-14(2)12-25(11-13)21-23-10-17-19(24-21)8-15(9-20(17)26)16-5-3-4-6-18(16)22/h3-6,10,13-15H,7-9,11-12H2,1-2H3
InChIKeyXXOJCYWPOYETKL-UHFFFAOYSA-N
XLogP4.53
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 7-(2-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 665012) is 7-(2-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 7-(2-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 7-(2-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is CC1CC(C)CN(c2ncc3c(n2)CC(c2ccccc2Cl)CC3=O)C1.
What is the InChIKey of 7-(2-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is XXOJCYWPOYETKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c1-13-7-14(2)12-25(11-13)21-23-10-17-19(24-21)8-15(9-20(17)26)16-5-3-4-6-18(16)22/h3-6,10,13-15H,7-9,11-12H2,1-2H3.
What are the key properties of 7-(2-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
7-(2-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 369.90 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 665012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).