8-chloro-6-hydroxy-6-(2-phenylethynyl)indolo[2,1-b]quinazolin-12-one

C23H13ClN2O2 — CID 162416316

IUPAC8-chloro-6-hydroxy-6-(2-phenylethynyl)indolo[2,1-b]quinazolin-12-one
SMILESO=c1c2ccccc2nc2n1-c1ccc(Cl)cc1C2(O)C#Cc1ccccc1
InChIInChI=1S/C23H13ClN2O2/c24-16-10-11-20-18(14-16)23(28,13-12-15-6-2-1-3-7-15)22-25-19-9-5-4-8-17(19)21(27)26(20)22/h1-11,14,28H
InChIKeyYVBRRJJWDKAMJR-UHFFFAOYSA-N
MW384.82 g/mol
LogP3.64
Rot. Bonds

About 8-chloro-6-hydroxy-6-(2-phenylethynyl)indolo[2,1-b]quinazolin-12-one

8-chloro-6-hydroxy-6-(2-phenylethynyl)indolo[2,1-b]quinazolin-12-one (PubChem CID 162416316) has the molecular formula C23H13ClN2O2 and a molecular weight of 384.82 g/mol. Its IUPAC name is 8-chloro-6-hydroxy-6-(2-phenylethynyl)indolo[2,1-b]quinazolin-12-one.

Molecular Properties

Compound Name8-chloro-6-hydroxy-6-(2-phenylethynyl)indolo[2,1-b]quinazolin-12-one
PubChem CID162416316
Molecular FormulaC23H13ClN2O2
Molecular Weight384.82 g/mol
Exact Mass384.07
IUPAC Name8-chloro-6-hydroxy-6-(2-phenylethynyl)indolo[2,1-b]quinazolin-12-one
SMILESO=c1c2ccccc2nc2n1-c1ccc(Cl)cc1C2(O)C#Cc1ccccc1
InChIInChI=1S/C23H13ClN2O2/c24-16-10-11-20-18(14-16)23(28,13-12-15-6-2-1-3-7-15)22-25-19-9-5-4-8-17(19)21(27)26(20)22/h1-11,14,28H
InChIKeyYVBRRJJWDKAMJR-UHFFFAOYSA-N
XLogP3.64
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

8'-chloro-5-(4-chlorophenyl)-3-phenylspiro[1,3,4-oxadiazole-2,6'-indolo[2,1-b]quinazoline]-12'-one
CID 137346411
2-chloro-6-hydroxy-6-(quinolin-2-ylmethyl)indolo[2,1-b]quinazolin-12-one
CID 141497950
6-cyclopentyl-6-hydroxyindolo[2,1-b]quinazolin-12-one
CID 135029602
2-[(6R)-6-hydroxy-12-oxoindolo[2,1-b]quinazolin-6-yl]acetic acid
CID 132520591
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
3-(4-chloro-2-methylphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 20966750
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-[3-(2,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylbutan-2-yl)propanamide
CID 42736167
2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
CID 6074343
3-(4-hydroxy-2-methylphenyl)-2-methylquinazolin-4-one
CID 21143
N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethyl-2-methylpropanamide
CID 42716809

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-hydroxy-6-(2-phenylethynyl)indolo[2,1-b]quinazolin-12-one?
The IUPAC name of 8-chloro-6-hydroxy-6-(2-phenylethynyl)indolo[2,1-b]quinazolin-12-one (CID 162416316) is 8-chloro-6-hydroxy-6-(2-phenylethynyl)indolo[2,1-b]quinazolin-12-one.
What is the SMILES notation for 8-chloro-6-hydroxy-6-(2-phenylethynyl)indolo[2,1-b]quinazolin-12-one?
The canonical SMILES for 8-chloro-6-hydroxy-6-(2-phenylethynyl)indolo[2,1-b]quinazolin-12-one is O=c1c2ccccc2nc2n1-c1ccc(Cl)cc1C2(O)C#Cc1ccccc1.
What is the InChIKey of 8-chloro-6-hydroxy-6-(2-phenylethynyl)indolo[2,1-b]quinazolin-12-one?
The InChIKey is YVBRRJJWDKAMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13ClN2O2/c24-16-10-11-20-18(14-16)23(28,13-12-15-6-2-1-3-7-15)22-25-19-9-5-4-8-17(19)21(27)26(20)22/h1-11,14,28H.
What are the key properties of 8-chloro-6-hydroxy-6-(2-phenylethynyl)indolo[2,1-b]quinazolin-12-one?
8-chloro-6-hydroxy-6-(2-phenylethynyl)indolo[2,1-b]quinazolin-12-one has a molecular weight of 384.82 g/mol, XLogP of 3.64, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-hydroxy-6-(2-phenylethynyl)indolo[2,1-b]quinazolin-12-one is sourced from PubChem (CID 162416316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).