3-oxidopyrido[2,3-h]quinazolin-3-ium

C11H7N3O — CID 10878094

IUPAC3-oxidopyrido[2,3-h]quinazolin-3-ium
SMILES[O-][n+]1cnc2c(ccc3ncccc32)c1
InChIInChI=1S/C11H7N3O/c15-14-6-8-3-4-10-9(2-1-5-12-10)11(8)13-7-14/h1-7H
InChIKeyJLBIRRYKFVATMQ-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.42
Rot. Bonds

About 3-oxidopyrido[2,3-h]quinazolin-3-ium

3-oxidopyrido[2,3-h]quinazolin-3-ium (PubChem CID 10878094) has the molecular formula C11H7N3O and a molecular weight of 197.20 g/mol. Its IUPAC name is 3-oxidopyrido[2,3-h]quinazolin-3-ium.

Molecular Properties

Compound Name3-oxidopyrido[2,3-h]quinazolin-3-ium
PubChem CID10878094
Molecular FormulaC11H7N3O
Molecular Weight197.20 g/mol
Exact Mass197.06
IUPAC Name3-oxidopyrido[2,3-h]quinazolin-3-ium
SMILES[O-][n+]1cnc2c(ccc3ncccc32)c1
InChIInChI=1S/C11H7N3O/c15-14-6-8-3-4-10-9(2-1-5-12-10)11(8)13-7-14/h1-7H
InChIKeyJLBIRRYKFVATMQ-UHFFFAOYSA-N
XLogP1.42
TPSA52.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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nitric acid;1,7-phenanthroline
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pyrido[2,3-i][1,2]benzodiazepin-3-one
CID 67724117
2-(bromomethyl)-1,7-phenanthroline
CID 67733291
iron;2H-1,7-phenanthrolin-2-ide
CID 175242375
tetrakis(N,N-diethylcarbamodithioate);1,7-phenanthroline;tin(4+)
CID 174667242
2-chloropyrido[3,2-f]quinoxaline
CID 129033345
benzo[f]quinoline;iodomethane
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3-methyl-1,7-phenanthrolin-2-amine
CID 63231728

Frequently Asked Questions

What is the IUPAC name of 3-oxidopyrido[2,3-h]quinazolin-3-ium?
The IUPAC name of 3-oxidopyrido[2,3-h]quinazolin-3-ium (CID 10878094) is 3-oxidopyrido[2,3-h]quinazolin-3-ium.
What is the SMILES notation for 3-oxidopyrido[2,3-h]quinazolin-3-ium?
The canonical SMILES for 3-oxidopyrido[2,3-h]quinazolin-3-ium is [O-][n+]1cnc2c(ccc3ncccc32)c1.
What is the InChIKey of 3-oxidopyrido[2,3-h]quinazolin-3-ium?
The InChIKey is JLBIRRYKFVATMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O/c15-14-6-8-3-4-10-9(2-1-5-12-10)11(8)13-7-14/h1-7H.
What are the key properties of 3-oxidopyrido[2,3-h]quinazolin-3-ium?
3-oxidopyrido[2,3-h]quinazolin-3-ium has a molecular weight of 197.20 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxidopyrido[2,3-h]quinazolin-3-ium is sourced from PubChem (CID 10878094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).