6-cyclopentyl-6-hydroxyindolo[2,1-b]quinazolin-12-one

C20H18N2O2 — CID 135029602

IUPAC6-cyclopentyl-6-hydroxyindolo[2,1-b]quinazolin-12-one
SMILESO=c1c2ccccc2nc2n1-c1ccccc1C2(O)C1CCCC1
InChIInChI=1S/C20H18N2O2/c23-18-14-9-3-5-11-16(14)21-19-20(24,13-7-1-2-8-13)15-10-4-6-12-17(15)22(18)19/h3-6,9-13,24H,1-2,7-8H2
InChIKeyYADBIGJKSUBRRC-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.13
Rot. Bonds1

About 6-cyclopentyl-6-hydroxyindolo[2,1-b]quinazolin-12-one

6-cyclopentyl-6-hydroxyindolo[2,1-b]quinazolin-12-one (PubChem CID 135029602) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 6-cyclopentyl-6-hydroxyindolo[2,1-b]quinazolin-12-one.

Molecular Properties

Compound Name6-cyclopentyl-6-hydroxyindolo[2,1-b]quinazolin-12-one
PubChem CID135029602
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name6-cyclopentyl-6-hydroxyindolo[2,1-b]quinazolin-12-one
SMILESO=c1c2ccccc2nc2n1-c1ccccc1C2(O)C1CCCC1
InChIInChI=1S/C20H18N2O2/c23-18-14-9-3-5-11-16(14)21-19-20(24,13-7-1-2-8-13)15-10-4-6-12-17(15)22(18)19/h3-6,9-13,24H,1-2,7-8H2
InChIKeyYADBIGJKSUBRRC-UHFFFAOYSA-N
XLogP3.13
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.13
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-hydroxy-6-(2-phenylethyl)indolo[2,1-b]quinazolin-12-one
CID 162416327
(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-phenylspiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,6'-indolo[2,1-b]quinazoline]-1,3,12'-trione
CID 73399397
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
(3aS,4S,8aR,8bR)-2-(2-bromophenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,6'-indolo[2,1-b]quinazoline]-1,3,12'-trione
CID 98217152
2-(2,4-dichlorophenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,6'-indolo[2,1-b]quinazoline]-1,3,12'-trione
CID 73403038
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
2-(3-chloro-4-fluorophenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,6'-indolo[2,1-b]quinazoline]-1,3,12'-trione
CID 73402612
(3aS,4R,8aR,8bR)-2-(2-bromo-4-methylphenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,6'-indolo[2,1-b]quinazoline]-1,3,12'-trione
CID 98215049

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-6-hydroxyindolo[2,1-b]quinazolin-12-one?
The IUPAC name of 6-cyclopentyl-6-hydroxyindolo[2,1-b]quinazolin-12-one (CID 135029602) is 6-cyclopentyl-6-hydroxyindolo[2,1-b]quinazolin-12-one.
What is the SMILES notation for 6-cyclopentyl-6-hydroxyindolo[2,1-b]quinazolin-12-one?
The canonical SMILES for 6-cyclopentyl-6-hydroxyindolo[2,1-b]quinazolin-12-one is O=c1c2ccccc2nc2n1-c1ccccc1C2(O)C1CCCC1.
What is the InChIKey of 6-cyclopentyl-6-hydroxyindolo[2,1-b]quinazolin-12-one?
The InChIKey is YADBIGJKSUBRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c23-18-14-9-3-5-11-16(14)21-19-20(24,13-7-1-2-8-13)15-10-4-6-12-17(15)22(18)19/h3-6,9-13,24H,1-2,7-8H2.
What are the key properties of 6-cyclopentyl-6-hydroxyindolo[2,1-b]quinazolin-12-one?
6-cyclopentyl-6-hydroxyindolo[2,1-b]quinazolin-12-one has a molecular weight of 318.38 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-6-hydroxyindolo[2,1-b]quinazolin-12-one is sourced from PubChem (CID 135029602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).