12-(4-fluorophenyl)-5H-indolo[1,2-c]quinazolin-6-one

C21H13FN2O — CID 162408572

IUPAC12-(4-fluorophenyl)-5H-indolo[1,2-c]quinazolin-6-one
SMILESO=c1[nH]c2ccccc2c2c(-c3ccc(F)cc3)c3ccccc3n12
InChIInChI=1S/C21H13FN2O/c22-14-11-9-13(10-12-14)19-16-6-2-4-8-18(16)24-20(19)15-5-1-3-7-17(15)23-21(24)25/h1-12H,(H,23,25)
InChIKeyPSYDDEMGUNCSDI-UHFFFAOYSA-N
MW328.35 g/mol
LogP4.74
Rot. Bonds1

About 12-(4-fluorophenyl)-5H-indolo[1,2-c]quinazolin-6-one

12-(4-fluorophenyl)-5H-indolo[1,2-c]quinazolin-6-one (PubChem CID 162408572) has the molecular formula C21H13FN2O and a molecular weight of 328.35 g/mol. Its IUPAC name is 12-(4-fluorophenyl)-5H-indolo[1,2-c]quinazolin-6-one.

Molecular Properties

Compound Name12-(4-fluorophenyl)-5H-indolo[1,2-c]quinazolin-6-one
PubChem CID162408572
Molecular FormulaC21H13FN2O
Molecular Weight328.35 g/mol
Exact Mass328.10
IUPAC Name12-(4-fluorophenyl)-5H-indolo[1,2-c]quinazolin-6-one
SMILESO=c1[nH]c2ccccc2c2c(-c3ccc(F)cc3)c3ccccc3n12
InChIInChI=1S/C21H13FN2O/c22-14-11-9-13(10-12-14)19-16-6-2-4-8-18(16)24-20(19)15-5-1-3-7-17(15)23-21(24)25/h1-12H,(H,23,25)
InChIKeyPSYDDEMGUNCSDI-UHFFFAOYSA-N
XLogP4.74
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-3-phenyl-1H-quinolin-4-one
CID 19067574
1,2,3,4-tetrakis(4-fluorophenyl)triphenylene
CID 167529952
4-(4-fluorophenyl)-3-(2-methylpropanoyl)-1H-quinolin-2-one
CID 166442469
9-[6-carbazol-9-yl-9,10-bis(4-fluorophenyl)phenanthren-3-yl]carbazole
CID 88887940
3-(4-fluoroanilino)-1-methyl-4-phenylquinolin-2-one
CID 45123270
3-[10-(4-fluorophenyl)anthracen-9-yl]-9-phenylcarbazole
CID 170395491
3-phenyl-6H-[1,2,4]triazolo[4,3-c]quinazolin-5-one
CID 135518105
3-(1,3-dioxolan-2-yl)-2-(4-fluorophenyl)-1H-indole
CID 170874045
11-fluoro-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-8,14-dione
CID 163712708
3-(4-chlorophenyl)-6H-[1,2,4]triazolo[4,3-c]quinazolin-5-one
CID 135577952
21-naphthalen-2-yl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 164757239
3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxamide
CID 70002976

Frequently Asked Questions

What is the IUPAC name of 12-(4-fluorophenyl)-5H-indolo[1,2-c]quinazolin-6-one?
The IUPAC name of 12-(4-fluorophenyl)-5H-indolo[1,2-c]quinazolin-6-one (CID 162408572) is 12-(4-fluorophenyl)-5H-indolo[1,2-c]quinazolin-6-one.
What is the SMILES notation for 12-(4-fluorophenyl)-5H-indolo[1,2-c]quinazolin-6-one?
The canonical SMILES for 12-(4-fluorophenyl)-5H-indolo[1,2-c]quinazolin-6-one is O=c1[nH]c2ccccc2c2c(-c3ccc(F)cc3)c3ccccc3n12.
What is the InChIKey of 12-(4-fluorophenyl)-5H-indolo[1,2-c]quinazolin-6-one?
The InChIKey is PSYDDEMGUNCSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN2O/c22-14-11-9-13(10-12-14)19-16-6-2-4-8-18(16)24-20(19)15-5-1-3-7-17(15)23-21(24)25/h1-12H,(H,23,25).
What are the key properties of 12-(4-fluorophenyl)-5H-indolo[1,2-c]quinazolin-6-one?
12-(4-fluorophenyl)-5H-indolo[1,2-c]quinazolin-6-one has a molecular weight of 328.35 g/mol, XLogP of 4.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-fluorophenyl)-5H-indolo[1,2-c]quinazolin-6-one is sourced from PubChem (CID 162408572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).