5-chloro-2-(morpholin-4-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one

C20H24ClN3O3 — CID 137416184

IUPAC5-chloro-2-(morpholin-4-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
SMILESO=C1Nc2c(Cl)cc3cc(CN4CCOCC4)oc3c2C2(CCCCC2)N1
InChIInChI=1S/C20H24ClN3O3/c21-15-11-13-10-14(12-24-6-8-26-9-7-24)27-18(13)16-17(15)22-19(25)23-20(16)4-2-1-3-5-20/h10-11H,1-9,12H2,(H2,22,23,25)
InChIKeyCFPCUQDIDADZSY-UHFFFAOYSA-N
MW389.88 g/mol
LogP4.21
Rot. Bonds2

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

5-chloro-2-(morpholin-4-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one (PubChem CID 137416184) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is 5-chloro-2-(morpholin-4-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one.

Molecular Properties

Compound Name5-chloro-2-(morpholin-4-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
PubChem CID137416184
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name5-chloro-2-(morpholin-4-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
SMILESO=C1Nc2c(Cl)cc3cc(CN4CCOCC4)oc3c2C2(CCCCC2)N1
InChIInChI=1S/C20H24ClN3O3/c21-15-11-13-10-14(12-24-6-8-26-9-7-24)27-18(13)16-17(15)22-19(25)23-20(16)4-2-1-3-5-20/h10-11H,1-9,12H2,(H2,22,23,25)
InChIKeyCFPCUQDIDADZSY-UHFFFAOYSA-N
XLogP4.21
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(morpholin-4-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one?
The IUPAC name of 5-chloro-2-(morpholin-4-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one (CID 137416184) is 5-chloro-2-(morpholin-4-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one.
What is the SMILES notation for 5-chloro-2-(morpholin-4-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one?
The canonical SMILES for 5-chloro-2-(morpholin-4-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one is O=C1Nc2c(Cl)cc3cc(CN4CCOCC4)oc3c2C2(CCCCC2)N1.
What is the InChIKey of 5-chloro-2-(morpholin-4-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one?
The InChIKey is CFPCUQDIDADZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c21-15-11-13-10-14(12-24-6-8-26-9-7-24)27-18(13)16-17(15)22-19(25)23-20(16)4-2-1-3-5-20/h10-11H,1-9,12H2,(H2,22,23,25).
What are the key properties of 5-chloro-2-(morpholin-4-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one?
5-chloro-2-(morpholin-4-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one has a molecular weight of 389.88 g/mol, XLogP of 4.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(morpholin-4-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one is sourced from PubChem (CID 137416184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).