5-chloro-2-[(4-propan-2-ylpiperazin-1-yl)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one

C23H31ClN4O2 — CID 137408915

IUPAC5-chloro-2-[(4-propan-2-ylpiperazin-1-yl)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
SMILESCC(C)N1CCN(Cc2cc3cc(Cl)c4c(c3o2)C2(CCCCC2)NC(=O)N4)CC1
InChIInChI=1S/C23H31ClN4O2/c1-15(2)28-10-8-27(9-11-28)14-17-12-16-13-18(24)20-19(21(16)30-17)23(26-22(29)25-20)6-4-3-5-7-23/h12-13,15H,3-11,14H2,1-2H3,(H2,25,26,29)
InChIKeyFNXXFOLRFNNSCJ-UHFFFAOYSA-N
MW430.98 g/mol
LogP4.91
Rot. Bonds3

About 5-chloro-2-[(4-propan-2-ylpiperazin-1-yl)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one

5-chloro-2-[(4-propan-2-ylpiperazin-1-yl)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one (PubChem CID 137408915) has the molecular formula C23H31ClN4O2 and a molecular weight of 430.98 g/mol. Its IUPAC name is 5-chloro-2-[(4-propan-2-ylpiperazin-1-yl)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one.

Molecular Properties

Compound Name5-chloro-2-[(4-propan-2-ylpiperazin-1-yl)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
PubChem CID137408915
Molecular FormulaC23H31ClN4O2
Molecular Weight430.98 g/mol
Exact Mass430.21
IUPAC Name5-chloro-2-[(4-propan-2-ylpiperazin-1-yl)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
SMILESCC(C)N1CCN(Cc2cc3cc(Cl)c4c(c3o2)C2(CCCCC2)NC(=O)N4)CC1
InChIInChI=1S/C23H31ClN4O2/c1-15(2)28-10-8-27(9-11-28)14-17-12-16-13-18(24)20-19(21(16)30-17)23(26-22(29)25-20)6-4-3-5-7-23/h12-13,15H,3-11,14H2,1-2H3,(H2,25,26,29)
InChIKeyFNXXFOLRFNNSCJ-UHFFFAOYSA-N
XLogP4.91
TPSA60.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.98
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-[(4-propan-2-ylpiperazin-1-yl)methyl]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-[(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-(2-oxa-8-azaspiro[3.5]nonan-8-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
CID 137416413
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-7-methylidene-2-[(4-methylsulfonylpiperazin-1-yl)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]
CID 167710745
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
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
1-[(5-chloro-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methyl]piperidine-4-carbonitrile
CID 167684958
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
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-[(oxan-4-ylamino)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
CID 137415929
5-chloro-2-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
CID 137415936

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-propan-2-ylpiperazin-1-yl)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one?
The IUPAC name of 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) is 5-chloro-2-[(4-propan-2-ylpiperazin-1-yl)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one.
What is the SMILES notation for 5-chloro-2-[(4-propan-2-ylpiperazin-1-yl)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one?
The canonical SMILES for 5-chloro-2-[(4-propan-2-ylpiperazin-1-yl)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one is CC(C)N1CCN(Cc2cc3cc(Cl)c4c(c3o2)C2(CCCCC2)NC(=O)N4)CC1.
What is the InChIKey of 5-chloro-2-[(4-propan-2-ylpiperazin-1-yl)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one?
The InChIKey is FNXXFOLRFNNSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN4O2/c1-15(2)28-10-8-27(9-11-28)14-17-12-16-13-18(24)20-19(21(16)30-17)23(26-22(29)25-20)6-4-3-5-7-23/h12-13,15H,3-11,14H2,1-2H3,(H2,25,26,29).
What are the key properties of 5-chloro-2-[(4-propan-2-ylpiperazin-1-yl)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one?
5-chloro-2-[(4-propan-2-ylpiperazin-1-yl)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one has a molecular weight of 430.98 g/mol, XLogP of 4.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-propan-2-ylpiperazin-1-yl)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one is sourced from PubChem (CID 137408915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).