5-fluorospiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one

C21H13FN4O — CID 4224608

IUPAC5-fluorospiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one
SMILESO=C1Nc2ccc(F)cc2C12Nc1ccccc1-c1nc3ccccc3n12
InChIInChI=1S/C21H13FN4O/c22-12-9-10-16-14(11-12)21(20(27)24-16)25-15-6-2-1-5-13(15)19-23-17-7-3-4-8-18(17)26(19)21/h1-11,25H,(H,24,27)
InChIKeyIHIWLKNPHDBEAE-UHFFFAOYSA-N
MW356.36 g/mol
LogP3.92
Rot. Bonds

About 5-fluorospiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one

5-fluorospiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one (PubChem CID 4224608) has the molecular formula C21H13FN4O and a molecular weight of 356.36 g/mol. Its IUPAC name is 5-fluorospiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one.

Molecular Properties

Compound Name5-fluorospiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one
PubChem CID4224608
Molecular FormulaC21H13FN4O
Molecular Weight356.36 g/mol
Exact Mass356.11
IUPAC Name5-fluorospiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one
SMILESO=C1Nc2ccc(F)cc2C12Nc1ccccc1-c1nc3ccccc3n12
InChIInChI=1S/C21H13FN4O/c22-12-9-10-16-14(11-12)21(20(27)24-16)25-15-6-2-1-5-13(15)19-23-17-7-3-4-8-18(17)26(19)21/h1-11,25H,(H,24,27)
InChIKeyIHIWLKNPHDBEAE-UHFFFAOYSA-N
XLogP3.92
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-7-(trifluoromethyl)spiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one
CID 135831163
5-fluoro-3'-(4-methoxyphenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 139218295
5'-bromo-1'-ethylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one
CID 3578642
1'-benzyl-5'-ethylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one
CID 5024463
(3S)-6-fluoro-3'-(2-methoxyethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 94182883
6-(furan-2-yl)-6-methyl-5H-benzimidazolo[1,2-c]quinazoline
CID 5175468
5-methyl-3'-prop-2-enylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 78788427
8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene
CID 118363229
3'-propan-2-ylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 54777947
3'-(4-fluorophenyl)-7-methylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 71835307
(3S)-3'-cyclohexylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 704651
5'-fluoro-12-methyl-14-phenylspiro[13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione
CID 135878866

Frequently Asked Questions

What is the IUPAC name of 5-fluorospiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one?
The IUPAC name of 5-fluorospiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one (CID 4224608) is 5-fluorospiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one.
What is the SMILES notation for 5-fluorospiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one?
The canonical SMILES for 5-fluorospiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one is O=C1Nc2ccc(F)cc2C12Nc1ccccc1-c1nc3ccccc3n12.
What is the InChIKey of 5-fluorospiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one?
The InChIKey is IHIWLKNPHDBEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN4O/c22-12-9-10-16-14(11-12)21(20(27)24-16)25-15-6-2-1-5-13(15)19-23-17-7-3-4-8-18(17)26(19)21/h1-11,25H,(H,24,27).
What are the key properties of 5-fluorospiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one?
5-fluorospiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one has a molecular weight of 356.36 g/mol, XLogP of 3.92, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluorospiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one is sourced from PubChem (CID 4224608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).