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

C19H24ClN5O2 — CID 137415899

IUPAC5-chloro-2-(piperazin-1-ylmethyl)spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one
SMILESO=C1Nc2c(Cl)cc3nc(CN4CCNCC4)oc3c2C2(CCCCC2)N1
InChIInChI=1S/C19H24ClN5O2/c20-12-10-13-17(27-14(22-13)11-25-8-6-21-7-9-25)15-16(12)23-18(26)24-19(15)4-2-1-3-5-19/h10,21H,1-9,11H2,(H2,23,24,26)
InChIKeyVEDWYQAUJRRZGQ-UHFFFAOYSA-N
MW389.89 g/mol
LogP3.18
Rot. Bonds2

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

5-chloro-2-(piperazin-1-ylmethyl)spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one (PubChem CID 137415899) has the molecular formula C19H24ClN5O2 and a molecular weight of 389.89 g/mol. Its IUPAC name is 5-chloro-2-(piperazin-1-ylmethyl)spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one.

Molecular Properties

Compound Name5-chloro-2-(piperazin-1-ylmethyl)spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one
PubChem CID137415899
Molecular FormulaC19H24ClN5O2
Molecular Weight389.89 g/mol
Exact Mass389.16
IUPAC Name5-chloro-2-(piperazin-1-ylmethyl)spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one
SMILESO=C1Nc2c(Cl)cc3nc(CN4CCNCC4)oc3c2C2(CCCCC2)N1
InChIInChI=1S/C19H24ClN5O2/c20-12-10-13-17(27-14(22-13)11-25-8-6-21-7-9-25)15-16(12)23-18(26)24-19(15)4-2-1-3-5-19/h10,21H,1-9,11H2,(H2,23,24,26)
InChIKeyVEDWYQAUJRRZGQ-UHFFFAOYSA-N
XLogP3.18
TPSA82.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(piperazin-1-ylmethyl)spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one?
The IUPAC name of 5-chloro-2-(piperazin-1-ylmethyl)spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one (CID 137415899) is 5-chloro-2-(piperazin-1-ylmethyl)spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one.
What is the SMILES notation for 5-chloro-2-(piperazin-1-ylmethyl)spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one?
The canonical SMILES for 5-chloro-2-(piperazin-1-ylmethyl)spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one is O=C1Nc2c(Cl)cc3nc(CN4CCNCC4)oc3c2C2(CCCCC2)N1.
What is the InChIKey of 5-chloro-2-(piperazin-1-ylmethyl)spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one?
The InChIKey is VEDWYQAUJRRZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O2/c20-12-10-13-17(27-14(22-13)11-25-8-6-21-7-9-25)15-16(12)23-18(26)24-19(15)4-2-1-3-5-19/h10,21H,1-9,11H2,(H2,23,24,26).
What are the key properties of 5-chloro-2-(piperazin-1-ylmethyl)spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one?
5-chloro-2-(piperazin-1-ylmethyl)spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one has a molecular weight of 389.89 g/mol, XLogP of 3.18, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(piperazin-1-ylmethyl)spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one is sourced from PubChem (CID 137415899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).