5-chloro-2-(2-oxa-8-azaspiro[3.5]nonan-8-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one

C23H28ClN3O3 — CID 137416413

IUPAC5-chloro-2-(2-oxa-8-azaspiro[3.5]nonan-8-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
SMILESO=C1Nc2c(Cl)cc3cc(CN4CCCC5(COC5)C4)oc3c2C2(CCCCC2)N1
InChIInChI=1S/C23H28ClN3O3/c24-17-10-15-9-16(11-27-8-4-5-22(12-27)13-29-14-22)30-20(15)18-19(17)25-21(28)26-23(18)6-2-1-3-7-23/h9-10H,1-8,11-14H2,(H2,25,26,28)
InChIKeyTXXUWYSEBQVZSX-UHFFFAOYSA-N
MW429.95 g/mol
LogP4.99
Rot. Bonds2

About 5-chloro-2-(2-oxa-8-azaspiro[3.5]nonan-8-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one

5-chloro-2-(2-oxa-8-azaspiro[3.5]nonan-8-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one (PubChem CID 137416413) has the molecular formula C23H28ClN3O3 and a molecular weight of 429.95 g/mol. Its IUPAC name is 5-chloro-2-(2-oxa-8-azaspiro[3.5]nonan-8-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one.

Molecular Properties

Compound Name5-chloro-2-(2-oxa-8-azaspiro[3.5]nonan-8-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
PubChem CID137416413
Molecular FormulaC23H28ClN3O3
Molecular Weight429.95 g/mol
Exact Mass429.18
IUPAC Name5-chloro-2-(2-oxa-8-azaspiro[3.5]nonan-8-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
SMILESO=C1Nc2c(Cl)cc3cc(CN4CCCC5(COC5)C4)oc3c2C2(CCCCC2)N1
InChIInChI=1S/C23H28ClN3O3/c24-17-10-15-9-16(11-27-8-4-5-22(12-27)13-29-14-22)30-20(15)18-19(17)25-21(28)26-23(18)6-2-1-3-7-23/h9-10H,1-8,11-14H2,(H2,25,26,28)
InChIKeyTXXUWYSEBQVZSX-UHFFFAOYSA-N
XLogP4.99
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-(2-oxa-8-azaspiro[3.5]nonan-8-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one with MolForge

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Related Compounds

5-chloro-2-[(4-propan-2-ylpiperazin-1-yl)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
CID 137408915
5-chloro-2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
CID 137416827
N-[1-[(5-chloro-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methyl]piperidin-4-yl]acetamide
CID 137416275
5-chloro-2-[(4-hydroxy-4-thiophen-2-ylpiperidin-1-yl)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
CID 137416877
5-chloro-2-[(oxan-4-ylamino)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
CID 137415929
5-chloro-2-[(4-methyl-1,4-diazepan-1-yl)methyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]
CID 167600756
5-chloro-2-(morpholine-4-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
CID 137416075
N-[2-[(5-chloro-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methylamino]ethyl]formamide
CID 137415972
5-chloro-2-[(oxolan-2-ylmethylamino)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one;ethane
CID 142516454
1-[4-[(5-chloro-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methyl]piperazin-1-yl]-N,N-dimethylmethanamine
CID 167681100
5-chloro-2-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
CID 137416818
1-[(5-chloro-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methyl]piperidine-4-carbonitrile
CID 167684958

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-oxa-8-azaspiro[3.5]nonan-8-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one?
The IUPAC name of 5-chloro-2-(2-oxa-8-azaspiro[3.5]nonan-8-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one (CID 137416413) is 5-chloro-2-(2-oxa-8-azaspiro[3.5]nonan-8-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one.
What is the SMILES notation for 5-chloro-2-(2-oxa-8-azaspiro[3.5]nonan-8-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one?
The canonical SMILES for 5-chloro-2-(2-oxa-8-azaspiro[3.5]nonan-8-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one is O=C1Nc2c(Cl)cc3cc(CN4CCCC5(COC5)C4)oc3c2C2(CCCCC2)N1.
What is the InChIKey of 5-chloro-2-(2-oxa-8-azaspiro[3.5]nonan-8-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one?
The InChIKey is TXXUWYSEBQVZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O3/c24-17-10-15-9-16(11-27-8-4-5-22(12-27)13-29-14-22)30-20(15)18-19(17)25-21(28)26-23(18)6-2-1-3-7-23/h9-10H,1-8,11-14H2,(H2,25,26,28).
What are the key properties of 5-chloro-2-(2-oxa-8-azaspiro[3.5]nonan-8-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one?
5-chloro-2-(2-oxa-8-azaspiro[3.5]nonan-8-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one has a molecular weight of 429.95 g/mol, XLogP of 4.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-oxa-8-azaspiro[3.5]nonan-8-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one is sourced from PubChem (CID 137416413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).