5-chloro-1'-(4-methylbenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

C20H20ClN3O2 — CID 42875504

IUPAC5-chloro-1'-(4-methylbenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESCc1ccc(C(=O)N2CCC3(CC2)NC(=O)c2c(Cl)cccc2N3)cc1
InChIInChI=1S/C20H20ClN3O2/c1-13-5-7-14(8-6-13)19(26)24-11-9-20(10-12-24)22-16-4-2-3-15(21)17(16)18(25)23-20/h2-8,22H,9-12H2,1H3,(H,23,25)
InChIKeyIWMGTYHUSMQZHQ-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.44
Rot. Bonds1

About 5-chloro-1'-(4-methylbenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

5-chloro-1'-(4-methylbenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (PubChem CID 42875504) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 5-chloro-1'-(4-methylbenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name5-chloro-1'-(4-methylbenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
PubChem CID42875504
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name5-chloro-1'-(4-methylbenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESCc1ccc(C(=O)N2CCC3(CC2)NC(=O)c2c(Cl)cccc2N3)cc1
InChIInChI=1S/C20H20ClN3O2/c1-13-5-7-14(8-6-13)19(26)24-11-9-20(10-12-24)22-16-4-2-3-15(21)17(16)18(25)23-20/h2-8,22H,9-12H2,1H3,(H,23,25)
InChIKeyIWMGTYHUSMQZHQ-UHFFFAOYSA-N
XLogP3.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-1'-(4-methylbenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1'-(4-methylbenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 5-chloro-1'-(4-methylbenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (CID 42875504) is 5-chloro-1'-(4-methylbenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 5-chloro-1'-(4-methylbenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 5-chloro-1'-(4-methylbenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)c2c(Cl)cccc2N3)cc1.
What is the InChIKey of 5-chloro-1'-(4-methylbenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The InChIKey is IWMGTYHUSMQZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-13-5-7-14(8-6-13)19(26)24-11-9-20(10-12-24)22-16-4-2-3-15(21)17(16)18(25)23-20/h2-8,22H,9-12H2,1H3,(H,23,25).
What are the key properties of 5-chloro-1'-(4-methylbenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
5-chloro-1'-(4-methylbenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one has a molecular weight of 369.85 g/mol, XLogP of 3.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1'-(4-methylbenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 42875504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).