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

C19H23ClN4O3 — CID 137416271

IUPAC5-chloro-2-[(oxolan-3-ylamino)methyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one
SMILESO=C1Nc2c(Cl)cc3nc(CNC4CCOC4)oc3c2C2(CCCCC2)N1
InChIInChI=1S/C19H23ClN4O3/c20-12-8-13-17(27-14(22-13)9-21-11-4-7-26-10-11)15-16(12)23-18(25)24-19(15)5-2-1-3-6-19/h8,11,21H,1-7,9-10H2,(H2,23,24,25)
InChIKeyIOIUPJUTDZQTPQ-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.65
Rot. Bonds3

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

5-chloro-2-[(oxolan-3-ylamino)methyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one (PubChem CID 137416271) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is 5-chloro-2-[(oxolan-3-ylamino)methyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one.

Molecular Properties

Compound Name5-chloro-2-[(oxolan-3-ylamino)methyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one
PubChem CID137416271
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Name5-chloro-2-[(oxolan-3-ylamino)methyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one
SMILESO=C1Nc2c(Cl)cc3nc(CNC4CCOC4)oc3c2C2(CCCCC2)N1
InChIInChI=1S/C19H23ClN4O3/c20-12-8-13-17(27-14(22-13)9-21-11-4-7-26-10-11)15-16(12)23-18(25)24-19(15)5-2-1-3-6-19/h8,11,21H,1-7,9-10H2,(H2,23,24,25)
InChIKeyIOIUPJUTDZQTPQ-UHFFFAOYSA-N
XLogP3.65
TPSA88.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(oxolan-3-ylamino)methyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one?
The IUPAC name of 5-chloro-2-[(oxolan-3-ylamino)methyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one (CID 137416271) is 5-chloro-2-[(oxolan-3-ylamino)methyl]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-[(oxolan-3-ylamino)methyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one?
The canonical SMILES for 5-chloro-2-[(oxolan-3-ylamino)methyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one is O=C1Nc2c(Cl)cc3nc(CNC4CCOC4)oc3c2C2(CCCCC2)N1.
What is the InChIKey of 5-chloro-2-[(oxolan-3-ylamino)methyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one?
The InChIKey is IOIUPJUTDZQTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c20-12-8-13-17(27-14(22-13)9-21-11-4-7-26-10-11)15-16(12)23-18(25)24-19(15)5-2-1-3-6-19/h8,11,21H,1-7,9-10H2,(H2,23,24,25).
What are the key properties of 5-chloro-2-[(oxolan-3-ylamino)methyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one?
5-chloro-2-[(oxolan-3-ylamino)methyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one has a molecular weight of 390.87 g/mol, XLogP of 3.65, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(oxolan-3-ylamino)methyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one is sourced from PubChem (CID 137416271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).