2-[(5-chloro-7-oxospiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-2-yl)methylamino]-N,N-dimethylacetamide

C19H24ClN5O3 — CID 137415808

IUPAC2-[(5-chloro-7-oxospiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-2-yl)methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNCc1nc2cc(Cl)c3c(c2o1)C1(CCCCC1)NC(=O)N3
InChIInChI=1S/C19H24ClN5O3/c1-25(2)14(26)10-21-9-13-22-12-8-11(20)16-15(17(12)28-13)19(24-18(27)23-16)6-4-3-5-7-19/h8,21H,3-7,9-10H2,1-2H3,(H2,23,24,27)
InChIKeyXOTUZMYEPHMGIQ-UHFFFAOYSA-N
MW405.89 g/mol
LogP2.95
Rot. Bonds4

About 2-[(5-chloro-7-oxospiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-2-yl)methylamino]-N,N-dimethylacetamide

2-[(5-chloro-7-oxospiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-2-yl)methylamino]-N,N-dimethylacetamide (PubChem CID 137415808) has the molecular formula C19H24ClN5O3 and a molecular weight of 405.89 g/mol. Its IUPAC name is 2-[(5-chloro-7-oxospiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-2-yl)methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(5-chloro-7-oxospiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-2-yl)methylamino]-N,N-dimethylacetamide
PubChem CID137415808
Molecular FormulaC19H24ClN5O3
Molecular Weight405.89 g/mol
Exact Mass405.16
IUPAC Name2-[(5-chloro-7-oxospiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-2-yl)methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNCc1nc2cc(Cl)c3c(c2o1)C1(CCCCC1)NC(=O)N3
InChIInChI=1S/C19H24ClN5O3/c1-25(2)14(26)10-21-9-13-22-12-8-11(20)16-15(17(12)28-13)19(24-18(27)23-16)6-4-3-5-7-19/h8,21H,3-7,9-10H2,1-2H3,(H2,23,24,27)
InChIKeyXOTUZMYEPHMGIQ-UHFFFAOYSA-N
XLogP2.95
TPSA99.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(5-chloro-7-oxospiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-2-yl)methylamino]-N,N-dimethylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-7-oxospiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-2-yl)methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(5-chloro-7-oxospiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-2-yl)methylamino]-N,N-dimethylacetamide (CID 137415808) is 2-[(5-chloro-7-oxospiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-2-yl)methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(5-chloro-7-oxospiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-2-yl)methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(5-chloro-7-oxospiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-2-yl)methylamino]-N,N-dimethylacetamide is CN(C)C(=O)CNCc1nc2cc(Cl)c3c(c2o1)C1(CCCCC1)NC(=O)N3.
What is the InChIKey of 2-[(5-chloro-7-oxospiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-2-yl)methylamino]-N,N-dimethylacetamide?
The InChIKey is XOTUZMYEPHMGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O3/c1-25(2)14(26)10-21-9-13-22-12-8-11(20)16-15(17(12)28-13)19(24-18(27)23-16)6-4-3-5-7-19/h8,21H,3-7,9-10H2,1-2H3,(H2,23,24,27).
What are the key properties of 2-[(5-chloro-7-oxospiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-2-yl)methylamino]-N,N-dimethylacetamide?
2-[(5-chloro-7-oxospiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-2-yl)methylamino]-N,N-dimethylacetamide has a molecular weight of 405.89 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-7-oxospiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-2-yl)methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 137415808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).