9-methoxy-5-phenylindazolo[3,2-b]quinazolin-7-one

C21H15N3O2 — CID 86304179

IUPAC9-methoxy-5-phenylindazolo[3,2-b]quinazolin-7-one
SMILESCOc1ccc2nc3c4ccccc4n(-c4ccccc4)n3c(=O)c2c1
InChIInChI=1S/C21H15N3O2/c1-26-15-11-12-18-17(13-15)21(25)24-20(22-18)16-9-5-6-10-19(16)23(24)14-7-3-2-4-8-14/h2-13H,1H3
InChIKeyVRSJWXXANCIFOB-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.80
Rot. Bonds2

About 9-methoxy-5-phenylindazolo[3,2-b]quinazolin-7-one

9-methoxy-5-phenylindazolo[3,2-b]quinazolin-7-one (PubChem CID 86304179) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 9-methoxy-5-phenylindazolo[3,2-b]quinazolin-7-one.

Molecular Properties

Compound Name9-methoxy-5-phenylindazolo[3,2-b]quinazolin-7-one
PubChem CID86304179
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC Name9-methoxy-5-phenylindazolo[3,2-b]quinazolin-7-one
SMILESCOc1ccc2nc3c4ccccc4n(-c4ccccc4)n3c(=O)c2c1
InChIInChI=1S/C21H15N3O2/c1-26-15-11-12-18-17(13-15)21(25)24-20(22-18)16-9-5-6-10-19(16)23(24)14-7-3-2-4-8-14/h2-13H,1H3
InChIKeyVRSJWXXANCIFOB-UHFFFAOYSA-N
XLogP3.80
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-chloro-5-phenylquinazolino[3,2-b]cinnoline-7,13-dione
CID 132500625
6-methoxy-3-phenyl-2-propylquinazolin-4-one
CID 154639055
11-phenyl-5,7-dioxa-11,12,20-triazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,14,16,18-heptaen-13-one
CID 71722413
6-methoxy-2-methyl-3-(phenylsulfanylmethyl)quinazolin-4-one
CID 21004566
6-methoxy-3-(4-methoxyphenyl)quinazolin-4-one
CID 127038187
5-tert-butylimino-6-phenylquinazolino[2,3-a]phthalazin-8-one
CID 102100633
2-amino-3-(4-methoxyphenyl)quinazolin-4-one
CID 71652488
6-methoxy-2-phenylpyrrolo[3,4-b]quinoxaline-1,3-dione
CID 15417894
2-methoxybenzimidazolo[2,1-a]isoquinoline
CID 134847544
3-[(2S)-2-hydroxy-2-phenylethyl]-6-methoxyquinazolin-4-one
CID 166385913
3-(2-aminopropyl)-2-chloro-6-methoxyquinazolin-4-one
CID 117264100
3-hydroxy-7-methoxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 23872051

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-5-phenylindazolo[3,2-b]quinazolin-7-one?
The IUPAC name of 9-methoxy-5-phenylindazolo[3,2-b]quinazolin-7-one (CID 86304179) is 9-methoxy-5-phenylindazolo[3,2-b]quinazolin-7-one.
What is the SMILES notation for 9-methoxy-5-phenylindazolo[3,2-b]quinazolin-7-one?
The canonical SMILES for 9-methoxy-5-phenylindazolo[3,2-b]quinazolin-7-one is COc1ccc2nc3c4ccccc4n(-c4ccccc4)n3c(=O)c2c1.
What is the InChIKey of 9-methoxy-5-phenylindazolo[3,2-b]quinazolin-7-one?
The InChIKey is VRSJWXXANCIFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2/c1-26-15-11-12-18-17(13-15)21(25)24-20(22-18)16-9-5-6-10-19(16)23(24)14-7-3-2-4-8-14/h2-13H,1H3.
What are the key properties of 9-methoxy-5-phenylindazolo[3,2-b]quinazolin-7-one?
9-methoxy-5-phenylindazolo[3,2-b]quinazolin-7-one has a molecular weight of 341.37 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-5-phenylindazolo[3,2-b]quinazolin-7-one is sourced from PubChem (CID 86304179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).