5-chloro-2-(piperidine-1-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one

C21H24ClN3O3 — CID 137416083

IUPAC5-chloro-2-(piperidine-1-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
SMILESO=C1Nc2c(Cl)cc3cc(C(=O)N4CCCCC4)oc3c2C2(CCCCC2)N1
InChIInChI=1S/C21H24ClN3O3/c22-14-11-13-12-15(19(26)25-9-5-2-6-10-25)28-18(13)16-17(14)23-20(27)24-21(16)7-3-1-4-8-21/h11-12H,1-10H2,(H2,23,24,27)
InChIKeyNARXIWFMPKNUFY-UHFFFAOYSA-N
MW401.89 g/mol
LogP5.01
Rot. Bonds1

About 5-chloro-2-(piperidine-1-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one

5-chloro-2-(piperidine-1-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one (PubChem CID 137416083) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is 5-chloro-2-(piperidine-1-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one.

Molecular Properties

Compound Name5-chloro-2-(piperidine-1-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
PubChem CID137416083
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC Name5-chloro-2-(piperidine-1-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
SMILESO=C1Nc2c(Cl)cc3cc(C(=O)N4CCCCC4)oc3c2C2(CCCCC2)N1
InChIInChI=1S/C21H24ClN3O3/c22-14-11-13-12-15(19(26)25-9-5-2-6-10-25)28-18(13)16-17(14)23-20(27)24-21(16)7-3-1-4-8-21/h11-12H,1-10H2,(H2,23,24,27)
InChIKeyNARXIWFMPKNUFY-UHFFFAOYSA-N
XLogP5.01
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.89
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-(piperidine-1-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-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-2-(piperidine-1-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one?
The IUPAC name of 5-chloro-2-(piperidine-1-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one (CID 137416083) is 5-chloro-2-(piperidine-1-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one.
What is the SMILES notation for 5-chloro-2-(piperidine-1-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one?
The canonical SMILES for 5-chloro-2-(piperidine-1-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one is O=C1Nc2c(Cl)cc3cc(C(=O)N4CCCCC4)oc3c2C2(CCCCC2)N1.
What is the InChIKey of 5-chloro-2-(piperidine-1-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one?
The InChIKey is NARXIWFMPKNUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c22-14-11-13-12-15(19(26)25-9-5-2-6-10-25)28-18(13)16-17(14)23-20(27)24-21(16)7-3-1-4-8-21/h11-12H,1-10H2,(H2,23,24,27).
What are the key properties of 5-chloro-2-(piperidine-1-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one?
5-chloro-2-(piperidine-1-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one has a molecular weight of 401.89 g/mol, XLogP of 5.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(piperidine-1-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one is sourced from PubChem (CID 137416083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).