5,6-dihydro-1H-benzo[h]quinazolin-2-one;phosphoryl trichloride

C12H10Cl3N2O2P — CID 91455611

IUPAC5,6-dihydro-1H-benzo[h]quinazolin-2-one;phosphoryl trichloride
SMILESO=P(Cl)(Cl)Cl.O=c1ncc2c([nH]1)-c1ccccc1CC2
InChIInChI=1S/C12H10N2O.Cl3OP/c15-12-13-7-9-6-5-8-3-1-2-4-10(8)11(9)14-12;1-5(2,3)4/h1-4,7H,5-6H2,(H,13,14,15);
InChIKeyAKEIQWGRLIONKG-UHFFFAOYSA-N
MW351.56 g/mol
LogP4.35
Rot. Bonds

About 5,6-dihydro-1H-benzo[h]quinazolin-2-one;phosphoryl trichloride

5,6-dihydro-1H-benzo[h]quinazolin-2-one;phosphoryl trichloride (PubChem CID 91455611) has the molecular formula C12H10Cl3N2O2P and a molecular weight of 351.56 g/mol. Its IUPAC name is 5,6-dihydro-1H-benzo[h]quinazolin-2-one;phosphoryl trichloride.

Molecular Properties

Compound Name5,6-dihydro-1H-benzo[h]quinazolin-2-one;phosphoryl trichloride
PubChem CID91455611
Molecular FormulaC12H10Cl3N2O2P
Molecular Weight351.56 g/mol
Exact Mass349.95
IUPAC Name5,6-dihydro-1H-benzo[h]quinazolin-2-one;phosphoryl trichloride
SMILESO=P(Cl)(Cl)Cl.O=c1ncc2c([nH]1)-c1ccccc1CC2
InChIInChI=1S/C12H10N2O.Cl3OP/c15-12-13-7-9-6-5-8-3-1-2-4-10(8)11(9)14-12;1-5(2,3)4/h1-4,7H,5-6H2,(H,13,14,15);
InChIKeyAKEIQWGRLIONKG-UHFFFAOYSA-N
XLogP4.35
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.56
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,5-dihydroindeno[1,2-d]pyrimidin-2-one
CID 66489815
5-fluoro-6-(2-fluorophenyl)-1H-pyrimidin-2-one
CID 106516268
5,6-dihydro-1H-benzo[h]quinazoline-2,4-dione
CID 15857128
1,5-dihydroindeno[1,2-d]pyrimidine-2-thione
CID 66489857
8,9-dimethyl-5,6-dihydro-1H-pyrrolo[3,4-h]quinazolin-2-one
CID 54613666
10H-phenanthren-9-one;phosphoryl trichloride
CID 123741293
1,2,4,5-tetrahydrobenzo[g]indazol-3-one
CID 10397540
9,10-dihydrophenanthrene;methane
CID 174728506
tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 12568460
5-(2-chlorophenyl)-6-methyl-1H-pyrimidin-2-one
CID 142606742
9,10-dihydrophenanthrene;ethane
CID 143759681
trimethyl-(1-trimethylstannyl-3,4-dihydronaphthalen-2-yl)stannane
CID 11430991

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-1H-benzo[h]quinazolin-2-one;phosphoryl trichloride?
The IUPAC name of 5,6-dihydro-1H-benzo[h]quinazolin-2-one;phosphoryl trichloride (CID 91455611) is 5,6-dihydro-1H-benzo[h]quinazolin-2-one;phosphoryl trichloride.
What is the SMILES notation for 5,6-dihydro-1H-benzo[h]quinazolin-2-one;phosphoryl trichloride?
The canonical SMILES for 5,6-dihydro-1H-benzo[h]quinazolin-2-one;phosphoryl trichloride is O=P(Cl)(Cl)Cl.O=c1ncc2c([nH]1)-c1ccccc1CC2.
What is the InChIKey of 5,6-dihydro-1H-benzo[h]quinazolin-2-one;phosphoryl trichloride?
The InChIKey is AKEIQWGRLIONKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O.Cl3OP/c15-12-13-7-9-6-5-8-3-1-2-4-10(8)11(9)14-12;1-5(2,3)4/h1-4,7H,5-6H2,(H,13,14,15);.
What are the key properties of 5,6-dihydro-1H-benzo[h]quinazolin-2-one;phosphoryl trichloride?
5,6-dihydro-1H-benzo[h]quinazolin-2-one;phosphoryl trichloride has a molecular weight of 351.56 g/mol, XLogP of 4.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-1H-benzo[h]quinazolin-2-one;phosphoryl trichloride is sourced from PubChem (CID 91455611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).