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

C17H16ClN3O3 — CID 24716812

IUPAC5-chloro-1'-(furan-2-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESO=C1NC2(CCN(C(=O)c3ccco3)CC2)Nc2cccc(Cl)c21
InChIInChI=1S/C17H16ClN3O3/c18-11-3-1-4-12-14(11)15(22)20-17(19-12)6-8-21(9-7-17)16(23)13-5-2-10-24-13/h1-5,10,19H,6-9H2,(H,20,22)
InChIKeyUGUBFUBAXFINBJ-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.72
Rot. Bonds1

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

5-chloro-1'-(furan-2-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (PubChem CID 24716812) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is 5-chloro-1'-(furan-2-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name5-chloro-1'-(furan-2-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
PubChem CID24716812
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC Name5-chloro-1'-(furan-2-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESO=C1NC2(CCN(C(=O)c3ccco3)CC2)Nc2cccc(Cl)c21
InChIInChI=1S/C17H16ClN3O3/c18-11-3-1-4-12-14(11)15(22)20-17(19-12)6-8-21(9-7-17)16(23)13-5-2-10-24-13/h1-5,10,19H,6-9H2,(H,20,22)
InChIKeyUGUBFUBAXFINBJ-UHFFFAOYSA-N
XLogP2.72
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-1'-(furan-2-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

5-chloro-1'-(4-methylbenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875504
5-chloro-1'-(4-methoxybenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46077654
5-chloro-1'-(2,2-diphenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875507
5-chloro-1'-(2-thiophen-2-ylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46169482
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 7342085
5-chloro-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875661
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone
CID 2225250
[4-(8-chloronaphthalen-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
CID 3264511
azepan-1-yl(furan-2-yl)methanone
CID 5200992
5-fluoro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875532
1'-(furan-2-carbonyl)-3-methylspiro[1H-quinazoline-2,4'-piperidine]-4-one
CID 71878002
[4-(2,3-dichlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 113080480

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1'-(furan-2-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 5-chloro-1'-(furan-2-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (CID 24716812) is 5-chloro-1'-(furan-2-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 5-chloro-1'-(furan-2-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 5-chloro-1'-(furan-2-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is O=C1NC2(CCN(C(=O)c3ccco3)CC2)Nc2cccc(Cl)c21.
What is the InChIKey of 5-chloro-1'-(furan-2-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The InChIKey is UGUBFUBAXFINBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c18-11-3-1-4-12-14(11)15(22)20-17(19-12)6-8-21(9-7-17)16(23)13-5-2-10-24-13/h1-5,10,19H,6-9H2,(H,20,22).
What are the key properties of 5-chloro-1'-(furan-2-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
5-chloro-1'-(furan-2-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one has a molecular weight of 345.79 g/mol, XLogP of 2.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1'-(furan-2-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 24716812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).