3-benzyl-2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one

C20H23N5O2 — CID 10570861

IUPAC3-benzyl-2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one
SMILESO=c1c2c(nc3n(Cc4ccccc4)c(N4CCOCC4)nn13)CCCC2
InChIInChI=1S/C20H23N5O2/c26-18-16-8-4-5-9-17(16)21-19-24(14-15-6-2-1-3-7-15)20(22-25(18)19)23-10-12-27-13-11-23/h1-3,6-7H,4-5,8-14H2
InChIKeyRTDRWPOWIKTOFV-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.65
Rot. Bonds3

About 3-benzyl-2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one

3-benzyl-2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one (PubChem CID 10570861) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-benzyl-2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one.

Molecular Properties

Compound Name3-benzyl-2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one
PubChem CID10570861
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name3-benzyl-2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one
SMILESO=c1c2c(nc3n(Cc4ccccc4)c(N4CCOCC4)nn13)CCCC2
InChIInChI=1S/C20H23N5O2/c26-18-16-8-4-5-9-17(16)21-19-24(14-15-6-2-1-3-7-15)20(22-25(18)19)23-10-12-27-13-11-23/h1-3,6-7H,4-5,8-14H2
InChIKeyRTDRWPOWIKTOFV-UHFFFAOYSA-N
XLogP1.65
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-benzyl-2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one with MolForge

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Related Compounds

2-benzyl-5-morpholin-4-yl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1(9),3,5-trien-8-one
CID 15048289
1,7-dibenzyl-3-methyl-8-morpholin-4-ylpurine-2,6-dione
CID 1307880
7-benzyl-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione
CID 979191
2-benzylsulfanyl-3-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 7748660
1-benzyl-3-methyl-8-morpholin-4-yl-7-propan-2-ylpurine-2,6-dione
CID 30842870
methyl 3-benzyl-2-morpholin-4-yl-4-oxoquinazoline-7-carboxylate
CID 50840851
3-benzyl-2-pyrrolidin-1-ylquinazolin-4-one
CID 126457829
2-benzyl-5-methylsulfanyl-11-thia-2,4,6,7-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5-trien-8-one
CID 15049904
4-(2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)morpholine
CID 665998
3,7-dimethyl-1-[(4-methylphenyl)methyl]-8-morpholin-4-ylpurine-2,6-dione
CID 16805193
4-benzyl-2-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-5-morpholin-4-yl-1,2,4-triazole-3-thione
CID 22109137
3-benzyl-2-[1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 10288263

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one?
The IUPAC name of 3-benzyl-2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one (CID 10570861) is 3-benzyl-2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one.
What is the SMILES notation for 3-benzyl-2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one?
The canonical SMILES for 3-benzyl-2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one is O=c1c2c(nc3n(Cc4ccccc4)c(N4CCOCC4)nn13)CCCC2.
What is the InChIKey of 3-benzyl-2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one?
The InChIKey is RTDRWPOWIKTOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c26-18-16-8-4-5-9-17(16)21-19-24(14-15-6-2-1-3-7-15)20(22-25(18)19)23-10-12-27-13-11-23/h1-3,6-7H,4-5,8-14H2.
What are the key properties of 3-benzyl-2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one?
3-benzyl-2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one has a molecular weight of 365.44 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one is sourced from PubChem (CID 10570861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).