6-chloro-3-(1H-indazol-3-yl)-2-phenylquinazolin-4-one

C21H13ClN4O — CID 171355523

IUPAC6-chloro-3-(1H-indazol-3-yl)-2-phenylquinazolin-4-one
SMILESO=c1c2cc(Cl)ccc2nc(-c2ccccc2)n1-c1n[nH]c2ccccc12
InChIInChI=1S/C21H13ClN4O/c22-14-10-11-17-16(12-14)21(27)26(19(23-17)13-6-2-1-3-7-13)20-15-8-4-5-9-18(15)24-25-20/h1-12H,(H,24,25)
InChIKeyQVNMZFFDHTTXIH-UHFFFAOYSA-N
MW372.82 g/mol
LogP4.58
Rot. Bonds2

About 6-chloro-3-(1H-indazol-3-yl)-2-phenylquinazolin-4-one

6-chloro-3-(1H-indazol-3-yl)-2-phenylquinazolin-4-one (PubChem CID 171355523) has the molecular formula C21H13ClN4O and a molecular weight of 372.82 g/mol. Its IUPAC name is 6-chloro-3-(1H-indazol-3-yl)-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name6-chloro-3-(1H-indazol-3-yl)-2-phenylquinazolin-4-one
PubChem CID171355523
Molecular FormulaC21H13ClN4O
Molecular Weight372.82 g/mol
Exact Mass372.08
IUPAC Name6-chloro-3-(1H-indazol-3-yl)-2-phenylquinazolin-4-one
SMILESO=c1c2cc(Cl)ccc2nc(-c2ccccc2)n1-c1n[nH]c2ccccc12
InChIInChI=1S/C21H13ClN4O/c22-14-10-11-17-16(12-14)21(27)26(19(23-17)13-6-2-1-3-7-13)20-15-8-4-5-9-18(15)24-25-20/h1-12H,(H,24,25)
InChIKeyQVNMZFFDHTTXIH-UHFFFAOYSA-N
XLogP4.58
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.82
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135939590
4(1H)-Quinazolinone, 2-[[2-[4-(1H-indazol-3-yl)-1-piperazinyl]ethyl]amino]-
CID 136016494
N-(5-(((2S)-4-amino-2-(3-chlorophenyl)butanoyl)amino)-1H-indazol-3-yl)benzamide
CID 24894158
1-N-[6-(3-chlorophenyl)-1H-indazol-3-yl]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 145967196
1-N-[6-(2-chlorophenyl)-1H-indazol-3-yl]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 145972882
1-N-[6-(4-chlorophenyl)-1H-indazol-3-yl]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 145974714
1-N-[6-(3,5-dichlorophenyl)-1H-indazol-3-yl]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 145977545
1-N-[6-(2,5-dichlorophenyl)-1H-indazol-3-yl]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 145978162
N-(3-amino-1H-indazol-5-yl)-3-chlorobenzamide
CID 155544372
EDJ-MED-c8e7a002-9
CID 156906990
EDJ-MED-c8e7a002-10
CID 156906991
EDJ-MED-c8e7a002-13
CID 156906993

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(1H-indazol-3-yl)-2-phenylquinazolin-4-one?
The IUPAC name of 6-chloro-3-(1H-indazol-3-yl)-2-phenylquinazolin-4-one (CID 171355523) is 6-chloro-3-(1H-indazol-3-yl)-2-phenylquinazolin-4-one.
What is the SMILES notation for 6-chloro-3-(1H-indazol-3-yl)-2-phenylquinazolin-4-one?
The canonical SMILES for 6-chloro-3-(1H-indazol-3-yl)-2-phenylquinazolin-4-one is O=c1c2cc(Cl)ccc2nc(-c2ccccc2)n1-c1n[nH]c2ccccc12.
What is the InChIKey of 6-chloro-3-(1H-indazol-3-yl)-2-phenylquinazolin-4-one?
The InChIKey is QVNMZFFDHTTXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClN4O/c22-14-10-11-17-16(12-14)21(27)26(19(23-17)13-6-2-1-3-7-13)20-15-8-4-5-9-18(15)24-25-20/h1-12H,(H,24,25).
What are the key properties of 6-chloro-3-(1H-indazol-3-yl)-2-phenylquinazolin-4-one?
6-chloro-3-(1H-indazol-3-yl)-2-phenylquinazolin-4-one has a molecular weight of 372.82 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(1H-indazol-3-yl)-2-phenylquinazolin-4-one is sourced from PubChem (CID 171355523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).