4,10-dimethyl-9-morpholin-4-ylpyrano[2,3-f]cinnolin-2-one

C17H17N3O3 — CID 139233851

IUPAC4,10-dimethyl-9-morpholin-4-ylpyrano[2,3-f]cinnolin-2-one
SMILESCc1cc(=O)oc2c1ccc1nnc(N3CCOCC3)c(C)c12
InChIInChI=1S/C17H17N3O3/c1-10-9-14(21)23-16-12(10)3-4-13-15(16)11(2)17(19-18-13)20-5-7-22-8-6-20/h3-4,9H,5-8H2,1-2H3
InChIKeyUELQSAXOGUNAIL-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.19
Rot. Bonds1

About 4,10-dimethyl-9-morpholin-4-ylpyrano[2,3-f]cinnolin-2-one

4,10-dimethyl-9-morpholin-4-ylpyrano[2,3-f]cinnolin-2-one (PubChem CID 139233851) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 4,10-dimethyl-9-morpholin-4-ylpyrano[2,3-f]cinnolin-2-one.

Molecular Properties

Compound Name4,10-dimethyl-9-morpholin-4-ylpyrano[2,3-f]cinnolin-2-one
PubChem CID139233851
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name4,10-dimethyl-9-morpholin-4-ylpyrano[2,3-f]cinnolin-2-one
SMILESCc1cc(=O)oc2c1ccc1nnc(N3CCOCC3)c(C)c12
InChIInChI=1S/C17H17N3O3/c1-10-9-14(21)23-16-12(10)3-4-13-15(16)11(2)17(19-18-13)20-5-7-22-8-6-20/h3-4,9H,5-8H2,1-2H3
InChIKeyUELQSAXOGUNAIL-UHFFFAOYSA-N
XLogP2.19
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4,10-dimethylpyrano[2,3-f]chromene-2,8-dione
CID 1234115
7-hydroxy-4-methyl-8-[morpholin-4-yl(phenyl)methyl]chromen-2-one
CID 11450983
8-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-7-hydroxy-4-methylbenzo[h]chromen-2-one
CID 42650679
2-ethenyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one
CID 134912214
8-acetyl-4-methyl-7-(2-morpholin-4-ylethoxy)chromen-2-one
CID 53304519
9-amino-4,8-dimethylfuro[2,3-h]chromen-2-one
CID 131858865
8-imino-4-methyl-9-(morpholine-4-carbonyl)pyrano[2,3-f]chromen-2-one
CID 127040328
4,8-dimethyl-7-(2-morpholin-4-ylsulfonyl-4-nitrophenoxy)chromen-2-one
CID 26436675
20-methyl-2,5,11,14,17-pentaoxa-8-azatricyclo[13.8.0.016,21]tricosa-1(15),16(21),19,22-tetraen-18-one
CID 25146439
2-(4-methoxyphenyl)-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one
CID 134912266
[4-methyl-8-(morpholin-4-ylmethyl)-2-oxochromen-7-yl] prop-2-enoate
CID 909765
4-methylpyrano[2,3-f]chromene-2,8-dione
CID 13165001

Frequently Asked Questions

What is the IUPAC name of 4,10-dimethyl-9-morpholin-4-ylpyrano[2,3-f]cinnolin-2-one?
The IUPAC name of 4,10-dimethyl-9-morpholin-4-ylpyrano[2,3-f]cinnolin-2-one (CID 139233851) is 4,10-dimethyl-9-morpholin-4-ylpyrano[2,3-f]cinnolin-2-one.
What is the SMILES notation for 4,10-dimethyl-9-morpholin-4-ylpyrano[2,3-f]cinnolin-2-one?
The canonical SMILES for 4,10-dimethyl-9-morpholin-4-ylpyrano[2,3-f]cinnolin-2-one is Cc1cc(=O)oc2c1ccc1nnc(N3CCOCC3)c(C)c12.
What is the InChIKey of 4,10-dimethyl-9-morpholin-4-ylpyrano[2,3-f]cinnolin-2-one?
The InChIKey is UELQSAXOGUNAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-10-9-14(21)23-16-12(10)3-4-13-15(16)11(2)17(19-18-13)20-5-7-22-8-6-20/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 4,10-dimethyl-9-morpholin-4-ylpyrano[2,3-f]cinnolin-2-one?
4,10-dimethyl-9-morpholin-4-ylpyrano[2,3-f]cinnolin-2-one has a molecular weight of 311.34 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-dimethyl-9-morpholin-4-ylpyrano[2,3-f]cinnolin-2-one is sourced from PubChem (CID 139233851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).