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

C21H22ClN3O3 — CID 53169517

IUPAC7-chloro-1'-(2-ethoxybenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESCCOc1ccccc1C(=O)N1CCC2(CC1)NC(=O)c1ccc(Cl)cc1N2
InChIInChI=1S/C21H22ClN3O3/c1-2-28-18-6-4-3-5-16(18)20(27)25-11-9-21(10-12-25)23-17-13-14(22)7-8-15(17)19(26)24-21/h3-8,13,23H,2,9-12H2,1H3,(H,24,26)
InChIKeyMFSUROSVKGFPSR-UHFFFAOYSA-N
MW399.88 g/mol
LogP3.53
Rot. Bonds3

About 7-chloro-1'-(2-ethoxybenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

7-chloro-1'-(2-ethoxybenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (PubChem CID 53169517) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is 7-chloro-1'-(2-ethoxybenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name7-chloro-1'-(2-ethoxybenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
PubChem CID53169517
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC Name7-chloro-1'-(2-ethoxybenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESCCOc1ccccc1C(=O)N1CCC2(CC1)NC(=O)c1ccc(Cl)cc1N2
InChIInChI=1S/C21H22ClN3O3/c1-2-28-18-6-4-3-5-16(18)20(27)25-11-9-21(10-12-25)23-17-13-14(22)7-8-15(17)19(26)24-21/h3-8,13,23H,2,9-12H2,1H3,(H,24,26)
InChIKeyMFSUROSVKGFPSR-UHFFFAOYSA-N
XLogP3.53
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-chloro-1'-(2-ethoxybenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one with MolForge

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Related Compounds

7-chloro-1'-(3,5-dimethoxybenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875425
6-chloro-1'-(naphthalene-1-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875407
8-(2-ethoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 47017588
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-ethoxyphenyl)methanone
CID 17250136
7-chloro-N-(3-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
CID 46169529
[4-(4-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 844183
7-chloro-N-(2-methoxy-5-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169684
(2-ethoxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304464
1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
methyl 3-oxo-3-(4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-yl)propanoate
CID 134069534
6,7-difluoro-1'-(2-phenoxyacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46077822
6-chloro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875396

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1'-(2-ethoxybenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 7-chloro-1'-(2-ethoxybenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (CID 53169517) is 7-chloro-1'-(2-ethoxybenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 7-chloro-1'-(2-ethoxybenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 7-chloro-1'-(2-ethoxybenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is CCOc1ccccc1C(=O)N1CCC2(CC1)NC(=O)c1ccc(Cl)cc1N2.
What is the InChIKey of 7-chloro-1'-(2-ethoxybenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The InChIKey is MFSUROSVKGFPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-2-28-18-6-4-3-5-16(18)20(27)25-11-9-21(10-12-25)23-17-13-14(22)7-8-15(17)19(26)24-21/h3-8,13,23H,2,9-12H2,1H3,(H,24,26).
What are the key properties of 7-chloro-1'-(2-ethoxybenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
7-chloro-1'-(2-ethoxybenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one has a molecular weight of 399.88 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1'-(2-ethoxybenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 53169517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).