7-phenylisoquinolino[2,1-a]quinazolin-6-one

C22H14N2O — CID 90245172

IUPAC7-phenylisoquinolino[2,1-a]quinazolin-6-one
SMILESO=c1nc2c3ccccc3ccn2c2cccc(-c3ccccc3)c12
InChIInChI=1S/C22H14N2O/c25-22-20-17(15-7-2-1-3-8-15)11-6-12-19(20)24-14-13-16-9-4-5-10-18(16)21(24)23-22/h1-14H
InChIKeyOHRCHTUNDQMXKQ-UHFFFAOYSA-N
MW322.37 g/mol
LogP4.67
Rot. Bonds1

About 7-phenylisoquinolino[2,1-a]quinazolin-6-one

7-phenylisoquinolino[2,1-a]quinazolin-6-one (PubChem CID 90245172) has the molecular formula C22H14N2O and a molecular weight of 322.37 g/mol. Its IUPAC name is 7-phenylisoquinolino[2,1-a]quinazolin-6-one.

Molecular Properties

Compound Name7-phenylisoquinolino[2,1-a]quinazolin-6-one
PubChem CID90245172
Molecular FormulaC22H14N2O
Molecular Weight322.37 g/mol
Exact Mass322.11
IUPAC Name7-phenylisoquinolino[2,1-a]quinazolin-6-one
SMILESO=c1nc2c3ccccc3ccn2c2cccc(-c3ccccc3)c12
InChIInChI=1S/C22H14N2O/c25-22-20-17(15-7-2-1-3-8-15)11-6-12-19(20)24-14-13-16-9-4-5-10-18(16)21(24)23-22/h1-14H
InChIKeyOHRCHTUNDQMXKQ-UHFFFAOYSA-N
XLogP4.67
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-phenylbenzimidazolo[2,1-a]isoquinoline
CID 58518009
9-phenylimidazo[1,2-f]phenanthridine
CID 59358454
4-phenylcarbazol-9-amine
CID 146177430
5,8-diphenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one
CID 71113635
N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 146508469
N-[4-[4-[2-(1-naphthalen-1-yl-5-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 155038392
3-bromo-2-methylpyrimido[2,1-a]isoquinolin-4-one
CID 12664177
1-bromo-3-phenylimidazo[5,1-a]isoquinoline
CID 132583639
2-(4-benzo[c]phenanthren-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 159651717
N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 146508947
2-(2,6-dimethylphenyl)-2,7-naphthyridino[2,1-a]quinazolin-6-one
CID 140696030
1-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-9-phenylcarbazole
CID 161458696

Frequently Asked Questions

What is the IUPAC name of 7-phenylisoquinolino[2,1-a]quinazolin-6-one?
The IUPAC name of 7-phenylisoquinolino[2,1-a]quinazolin-6-one (CID 90245172) is 7-phenylisoquinolino[2,1-a]quinazolin-6-one.
What is the SMILES notation for 7-phenylisoquinolino[2,1-a]quinazolin-6-one?
The canonical SMILES for 7-phenylisoquinolino[2,1-a]quinazolin-6-one is O=c1nc2c3ccccc3ccn2c2cccc(-c3ccccc3)c12.
What is the InChIKey of 7-phenylisoquinolino[2,1-a]quinazolin-6-one?
The InChIKey is OHRCHTUNDQMXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O/c25-22-20-17(15-7-2-1-3-8-15)11-6-12-19(20)24-14-13-16-9-4-5-10-18(16)21(24)23-22/h1-14H.
What are the key properties of 7-phenylisoquinolino[2,1-a]quinazolin-6-one?
7-phenylisoquinolino[2,1-a]quinazolin-6-one has a molecular weight of 322.37 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylisoquinolino[2,1-a]quinazolin-6-one is sourced from PubChem (CID 90245172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).