6-chloro-1'-(naphthalene-1-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

C23H20ClN3O2 — CID 42875407

IUPAC6-chloro-1'-(naphthalene-1-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESO=C1NC2(CCN(C(=O)c3cccc4ccccc34)CC2)Nc2ccc(Cl)cc21
InChIInChI=1S/C23H20ClN3O2/c24-16-8-9-20-19(14-16)21(28)26-23(25-20)10-12-27(13-11-23)22(29)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,14,25H,10-13H2,(H,26,28)
InChIKeyBYWVPURZJUFAPL-UHFFFAOYSA-N
MW405.89 g/mol
LogP4.28
Rot. Bonds1

About 6-chloro-1'-(naphthalene-1-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

6-chloro-1'-(naphthalene-1-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (PubChem CID 42875407) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is 6-chloro-1'-(naphthalene-1-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6-chloro-1'-(naphthalene-1-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
PubChem CID42875407
Molecular FormulaC23H20ClN3O2
Molecular Weight405.89 g/mol
Exact Mass405.12
IUPAC Name6-chloro-1'-(naphthalene-1-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESO=C1NC2(CCN(C(=O)c3cccc4ccccc34)CC2)Nc2ccc(Cl)cc21
InChIInChI=1S/C23H20ClN3O2/c24-16-8-9-20-19(14-16)21(28)26-23(25-20)10-12-27(13-11-23)22(29)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,14,25H,10-13H2,(H,26,28)
InChIKeyBYWVPURZJUFAPL-UHFFFAOYSA-N
XLogP4.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-chloro-1'-(naphthalene-1-carbonyl)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

Related Compounds

6-chloro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875396
7-chloro-1'-(2-ethoxybenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 53169517
6-chloro-1'-(naphthalene-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758396
1'-(naphthalene-2-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46077696
CID 110211869
CID 110211869
[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 46579208
[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-naphthalen-1-ylmethanone
CID 108546172
7-chloro-1'-(3,5-dimethoxybenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875425
4-hydroxy-1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid
CID 119250762
methyl 3-oxo-3-(4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-yl)propanoate
CID 134069534
1'-(2,2-diphenylacetyl)-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875442
6-bromo-1'-(4-fluorobenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46077773

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1'-(naphthalene-1-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 6-chloro-1'-(naphthalene-1-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (CID 42875407) is 6-chloro-1'-(naphthalene-1-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 6-chloro-1'-(naphthalene-1-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 6-chloro-1'-(naphthalene-1-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is O=C1NC2(CCN(C(=O)c3cccc4ccccc34)CC2)Nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1'-(naphthalene-1-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The InChIKey is BYWVPURZJUFAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c24-16-8-9-20-19(14-16)21(28)26-23(25-20)10-12-27(13-11-23)22(29)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,14,25H,10-13H2,(H,26,28).
What are the key properties of 6-chloro-1'-(naphthalene-1-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
6-chloro-1'-(naphthalene-1-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one has a molecular weight of 405.89 g/mol, XLogP of 4.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1'-(naphthalene-1-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 42875407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).