8-methyl-5-phenylindazolo[3,2-b]quinazolin-7-one

C21H15N3O — CID 102226681

IUPAC8-methyl-5-phenylindazolo[3,2-b]quinazolin-7-one
SMILESCc1cccc2nc3c4ccccc4n(-c4ccccc4)n3c(=O)c12
InChIInChI=1S/C21H15N3O/c1-14-8-7-12-17-19(14)21(25)24-20(22-17)16-11-5-6-13-18(16)23(24)15-9-3-2-4-10-15/h2-13H,1H3
InChIKeyQVELRMMYSLXSIR-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.10
Rot. Bonds1

About 8-methyl-5-phenylindazolo[3,2-b]quinazolin-7-one

8-methyl-5-phenylindazolo[3,2-b]quinazolin-7-one (PubChem CID 102226681) has the molecular formula C21H15N3O and a molecular weight of 325.37 g/mol. Its IUPAC name is 8-methyl-5-phenylindazolo[3,2-b]quinazolin-7-one.

Molecular Properties

Compound Name8-methyl-5-phenylindazolo[3,2-b]quinazolin-7-one
PubChem CID102226681
Molecular FormulaC21H15N3O
Molecular Weight325.37 g/mol
Exact Mass325.12
IUPAC Name8-methyl-5-phenylindazolo[3,2-b]quinazolin-7-one
SMILESCc1cccc2nc3c4ccccc4n(-c4ccccc4)n3c(=O)c12
InChIInChI=1S/C21H15N3O/c1-14-8-7-12-17-19(14)21(25)24-20(22-17)16-11-5-6-13-18(16)23(24)15-9-3-2-4-10-15/h2-13H,1H3
InChIKeyQVELRMMYSLXSIR-UHFFFAOYSA-N
XLogP4.10
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenylindazolo[3,2-b]quinazolin-7-one
CID 57338719
9-methoxy-5-phenylindazolo[3,2-b]quinazolin-7-one
CID 86304179
10-chloro-5-phenylquinazolino[3,2-b]cinnoline-7,13-dione
CID 132500625
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
5-tert-butylimino-6-phenylquinazolino[2,3-a]phthalazin-8-one
CID 102100633
19-methyl-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 21125027
7,9-dimethyl-2,14-diazahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1(22),4,6,8,10,12(24),13,15,17,19(23),20-undecaen-3-one
CID 160610388
5-benzyl-10-methylphenanthridin-6-one
CID 71505961
5,9-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one
CID 139892501
2,14-diazahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1(22),4,6,8(24),9,11,13,15,17,19(23),20-undecaen-3-one;ethane
CID 157262786
6-methyl-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 14100430
2-[(1R)-1-aminobut-3-ynyl]-5-methyl-3-phenylquinazolin-4-one
CID 124560631

Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-phenylindazolo[3,2-b]quinazolin-7-one?
The IUPAC name of 8-methyl-5-phenylindazolo[3,2-b]quinazolin-7-one (CID 102226681) is 8-methyl-5-phenylindazolo[3,2-b]quinazolin-7-one.
What is the SMILES notation for 8-methyl-5-phenylindazolo[3,2-b]quinazolin-7-one?
The canonical SMILES for 8-methyl-5-phenylindazolo[3,2-b]quinazolin-7-one is Cc1cccc2nc3c4ccccc4n(-c4ccccc4)n3c(=O)c12.
What is the InChIKey of 8-methyl-5-phenylindazolo[3,2-b]quinazolin-7-one?
The InChIKey is QVELRMMYSLXSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O/c1-14-8-7-12-17-19(14)21(25)24-20(22-17)16-11-5-6-13-18(16)23(24)15-9-3-2-4-10-15/h2-13H,1H3.
What are the key properties of 8-methyl-5-phenylindazolo[3,2-b]quinazolin-7-one?
8-methyl-5-phenylindazolo[3,2-b]quinazolin-7-one has a molecular weight of 325.37 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-phenylindazolo[3,2-b]quinazolin-7-one is sourced from PubChem (CID 102226681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).