6-hydroxy-6-(2-phenylethyl)indolo[2,1-b]quinazolin-12-one

C23H18N2O2 — CID 162416327

IUPAC6-hydroxy-6-(2-phenylethyl)indolo[2,1-b]quinazolin-12-one
SMILESO=c1c2ccccc2nc2n1-c1ccccc1C2(O)CCc1ccccc1
InChIInChI=1S/C23H18N2O2/c26-21-17-10-4-6-12-19(17)24-22-23(27,15-14-16-8-2-1-3-9-16)18-11-5-7-13-20(18)25(21)22/h1-13,27H,14-15H2
InChIKeyISWSMKOGLPIMDZ-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.57
Rot. Bonds3

About 6-hydroxy-6-(2-phenylethyl)indolo[2,1-b]quinazolin-12-one

6-hydroxy-6-(2-phenylethyl)indolo[2,1-b]quinazolin-12-one (PubChem CID 162416327) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 6-hydroxy-6-(2-phenylethyl)indolo[2,1-b]quinazolin-12-one.

Molecular Properties

Compound Name6-hydroxy-6-(2-phenylethyl)indolo[2,1-b]quinazolin-12-one
PubChem CID162416327
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name6-hydroxy-6-(2-phenylethyl)indolo[2,1-b]quinazolin-12-one
SMILESO=c1c2ccccc2nc2n1-c1ccccc1C2(O)CCc1ccccc1
InChIInChI=1S/C23H18N2O2/c26-21-17-10-4-6-12-19(17)24-22-23(27,15-14-16-8-2-1-3-9-16)18-11-5-7-13-20(18)25(21)22/h1-13,27H,14-15H2
InChIKeyISWSMKOGLPIMDZ-UHFFFAOYSA-N
XLogP3.57
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6R)-6-hydroxy-12-oxoindolo[2,1-b]quinazolin-6-yl]acetic acid
CID 132520591
6-cyclopentyl-6-hydroxyindolo[2,1-b]quinazolin-12-one
CID 135029602
2-[(6S)-6-hydroxy-8-nitro-12-oxoindolo[2,1-b]quinazolin-6-yl]acetic acid
CID 132552073
2-chloro-6-hydroxy-6-(quinolin-2-ylmethyl)indolo[2,1-b]quinazolin-12-one
CID 141497950
ethyl 12-oxospiro[indolo[2,1-b]quinazoline-6,3'-oxirane]-2'-carboxylate
CID 10496920
8-chloro-6-hydroxy-6-(2-phenylethynyl)indolo[2,1-b]quinazolin-12-one
CID 162416316
(1R,2S,4R,5R)-2,4-diphenylspiro[6-azatricyclo[4.3.0.02,4]nonane-5,6'-indolo[2,1-b]quinazoline]-12'-one
CID 138963493
2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 2098057
2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 16538331
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 40953027
(1R,3S,3aS,6aR)-1-(2-methylpropyl)-5-phenylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,6'-indolo[2,1-b]quinazoline]-4,6,12'-trione
CID 51609076
2-[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]sulfanyl-3-phenylquinazolin-4-one
CID 5036673

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-6-(2-phenylethyl)indolo[2,1-b]quinazolin-12-one?
The IUPAC name of 6-hydroxy-6-(2-phenylethyl)indolo[2,1-b]quinazolin-12-one (CID 162416327) is 6-hydroxy-6-(2-phenylethyl)indolo[2,1-b]quinazolin-12-one.
What is the SMILES notation for 6-hydroxy-6-(2-phenylethyl)indolo[2,1-b]quinazolin-12-one?
The canonical SMILES for 6-hydroxy-6-(2-phenylethyl)indolo[2,1-b]quinazolin-12-one is O=c1c2ccccc2nc2n1-c1ccccc1C2(O)CCc1ccccc1.
What is the InChIKey of 6-hydroxy-6-(2-phenylethyl)indolo[2,1-b]quinazolin-12-one?
The InChIKey is ISWSMKOGLPIMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c26-21-17-10-4-6-12-19(17)24-22-23(27,15-14-16-8-2-1-3-9-16)18-11-5-7-13-20(18)25(21)22/h1-13,27H,14-15H2.
What are the key properties of 6-hydroxy-6-(2-phenylethyl)indolo[2,1-b]quinazolin-12-one?
6-hydroxy-6-(2-phenylethyl)indolo[2,1-b]quinazolin-12-one has a molecular weight of 354.41 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-6-(2-phenylethyl)indolo[2,1-b]quinazolin-12-one is sourced from PubChem (CID 162416327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).