2-[(6R)-6-hydroxy-12-oxoindolo[2,1-b]quinazolin-6-yl]acetic acid

C17H12N2O4 — CID 132520591

IUPAC2-[(6R)-6-hydroxy-12-oxoindolo[2,1-b]quinazolin-6-yl]acetic acid
SMILESO=C(O)C[C@@]1(O)c2ccccc2-n2c1nc1ccccc1c2=O
InChIInChI=1S/C17H12N2O4/c20-14(21)9-17(23)11-6-2-4-8-13(11)19-15(22)10-5-1-3-7-12(10)18-16(17)19/h1-8,23H,9H2,(H,20,21)/t17-/m1/s1
InChIKeyFYIFBGLWTAVJPT-QGZVFWFLSA-N
MW308.29 g/mol
LogP1.41
Rot. Bonds2

About 2-[(6R)-6-hydroxy-12-oxoindolo[2,1-b]quinazolin-6-yl]acetic acid

2-[(6R)-6-hydroxy-12-oxoindolo[2,1-b]quinazolin-6-yl]acetic acid (PubChem CID 132520591) has the molecular formula C17H12N2O4 and a molecular weight of 308.29 g/mol. Its IUPAC name is 2-[(6R)-6-hydroxy-12-oxoindolo[2,1-b]quinazolin-6-yl]acetic acid.

Molecular Properties

Compound Name2-[(6R)-6-hydroxy-12-oxoindolo[2,1-b]quinazolin-6-yl]acetic acid
PubChem CID132520591
Molecular FormulaC17H12N2O4
Molecular Weight308.29 g/mol
Exact Mass308.08
IUPAC Name2-[(6R)-6-hydroxy-12-oxoindolo[2,1-b]quinazolin-6-yl]acetic acid
SMILESO=C(O)C[C@@]1(O)c2ccccc2-n2c1nc1ccccc1c2=O
InChIInChI=1S/C17H12N2O4/c20-14(21)9-17(23)11-6-2-4-8-13(11)19-15(22)10-5-1-3-7-12(10)18-16(17)19/h1-8,23H,9H2,(H,20,21)/t17-/m1/s1
InChIKeyFYIFBGLWTAVJPT-QGZVFWFLSA-N
XLogP1.41
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6S)-6-hydroxy-8-nitro-12-oxoindolo[2,1-b]quinazolin-6-yl]acetic acid
CID 132552073
6-hydroxy-6-(2-phenylethyl)indolo[2,1-b]quinazolin-12-one
CID 162416327
6-cyclopentyl-6-hydroxyindolo[2,1-b]quinazolin-12-one
CID 135029602
ethyl 12-oxospiro[indolo[2,1-b]quinazoline-6,3'-oxirane]-2'-carboxylate
CID 10496920
2-chloro-6-hydroxy-6-(quinolin-2-ylmethyl)indolo[2,1-b]quinazolin-12-one
CID 141497950
8-chloro-6-hydroxy-6-(2-phenylethynyl)indolo[2,1-b]quinazolin-12-one
CID 162416316
2-[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]sulfanyl-3-phenylquinazolin-4-one
CID 5036673
(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
4-[(1R,3R,3aS,6aR)-1-(2-methylpropyl)-4,6,12'-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,6'-indolo[2,1-b]quinazoline]-5-yl]benzoic acid
CID 95374769
CID 131876705
CID 131876705
5-(4-acetylphenyl)-1-(2-methylpropyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,6'-indolo[2,1-b]quinazoline]-4,6,12'-trione
CID 73399465
(1R,3S,3aS,6aS)-5-(2-methoxyphenyl)-1-(2-methylpropyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,6'-indolo[2,1-b]quinazoline]-4,6,12'-trione
CID 163010834

Frequently Asked Questions

What is the IUPAC name of 2-[(6R)-6-hydroxy-12-oxoindolo[2,1-b]quinazolin-6-yl]acetic acid?
The IUPAC name of 2-[(6R)-6-hydroxy-12-oxoindolo[2,1-b]quinazolin-6-yl]acetic acid (CID 132520591) is 2-[(6R)-6-hydroxy-12-oxoindolo[2,1-b]quinazolin-6-yl]acetic acid.
What is the SMILES notation for 2-[(6R)-6-hydroxy-12-oxoindolo[2,1-b]quinazolin-6-yl]acetic acid?
The canonical SMILES for 2-[(6R)-6-hydroxy-12-oxoindolo[2,1-b]quinazolin-6-yl]acetic acid is O=C(O)C[C@@]1(O)c2ccccc2-n2c1nc1ccccc1c2=O.
What is the InChIKey of 2-[(6R)-6-hydroxy-12-oxoindolo[2,1-b]quinazolin-6-yl]acetic acid?
The InChIKey is FYIFBGLWTAVJPT-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H12N2O4/c20-14(21)9-17(23)11-6-2-4-8-13(11)19-15(22)10-5-1-3-7-12(10)18-16(17)19/h1-8,23H,9H2,(H,20,21)/t17-/m1/s1.
What are the key properties of 2-[(6R)-6-hydroxy-12-oxoindolo[2,1-b]quinazolin-6-yl]acetic acid?
2-[(6R)-6-hydroxy-12-oxoindolo[2,1-b]quinazolin-6-yl]acetic acid has a molecular weight of 308.29 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6R)-6-hydroxy-12-oxoindolo[2,1-b]quinazolin-6-yl]acetic acid is sourced from PubChem (CID 132520591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).