7-chloro-4-hydroxy-3-[3-(1H-indol-2-ylmethyl)phenyl]-1H-quinolin-2-one

C24H17ClN2O2 — CID 67690386

IUPAC7-chloro-4-hydroxy-3-[3-(1H-indol-2-ylmethyl)phenyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(Cc2cc3ccccc3[nH]2)c1
InChIInChI=1S/C24H17ClN2O2/c25-17-8-9-19-21(13-17)27-24(29)22(23(19)28)16-6-3-4-14(10-16)11-18-12-15-5-1-2-7-20(15)26-18/h1-10,12-13,26H,11H2,(H2,27,28,29)
InChIKeyGQMRUXPFLAWIHQ-UHFFFAOYSA-N
MW400.87 g/mol
LogP5.63
Rot. Bonds3

About 7-chloro-4-hydroxy-3-[3-(1H-indol-2-ylmethyl)phenyl]-1H-quinolin-2-one

7-chloro-4-hydroxy-3-[3-(1H-indol-2-ylmethyl)phenyl]-1H-quinolin-2-one (PubChem CID 67690386) has the molecular formula C24H17ClN2O2 and a molecular weight of 400.87 g/mol. Its IUPAC name is 7-chloro-4-hydroxy-3-[3-(1H-indol-2-ylmethyl)phenyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-4-hydroxy-3-[3-(1H-indol-2-ylmethyl)phenyl]-1H-quinolin-2-one
PubChem CID67690386
Molecular FormulaC24H17ClN2O2
Molecular Weight400.87 g/mol
Exact Mass400.10
IUPAC Name7-chloro-4-hydroxy-3-[3-(1H-indol-2-ylmethyl)phenyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(Cc2cc3ccccc3[nH]2)c1
InChIInChI=1S/C24H17ClN2O2/c25-17-8-9-19-21(13-17)27-24(29)22(23(19)28)16-6-3-4-14(10-16)11-18-12-15-5-1-2-7-20(15)26-18/h1-10,12-13,26H,11H2,(H2,27,28,29)
InChIKeyGQMRUXPFLAWIHQ-UHFFFAOYSA-N
XLogP5.63
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.87
LogP ≤ 55.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-4-hydroxy-3-(3-indol-1-ylphenyl)-1H-quinolin-2-one
CID 54704880
7-chloro-4-hydroxy-3-(5-phenylfuran-2-yl)-1H-quinolin-2-one
CID 54736899
7-chloro-4-hydroxy-3-[4-(1-phenylethenyl)phenyl]-1H-quinolin-2-one
CID 67690532
7-chloro-3-(3,5-ditert-butyl-4-hydroxyphenyl)-4-hydroxy-1H-quinolin-2-one
CID 142676342
3-(1,3-benzodioxol-5-yl)-7-chloro-4-hydroxy-1H-quinolin-2-one
CID 54732078
6-chloro-3-(1H-indol-2-ylmethyl)-1H-indole
CID 134502336
3-(3-chlorophenyl)-1H-quinolin-2-one
CID 152763617
7-chloro-3-(3-chlorophenyl)-4-hydroxy-6-methyl-1H-quinolin-2-one
CID 123738317
7-chloro-3-[4-[[2-[(dimethylamino)methyl]phenyl]methyl]phenyl]-4-hydroxy-1H-quinolin-2-one;methanesulfonic acid
CID 54684829
7-chloro-4-hydroxy-3-[3-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-1H-quinolin-2-one
CID 54684819
8-chloro-5-hydroxy-4-pyridin-3-yl-1H-1-benzazepine-2,3-dione
CID 10380093
7-chloro-4-hydroxy-3-(3-phenyl-2-sulfanylpropanoyl)-1H-quinolin-2-one
CID 57130394

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-hydroxy-3-[3-(1H-indol-2-ylmethyl)phenyl]-1H-quinolin-2-one?
The IUPAC name of 7-chloro-4-hydroxy-3-[3-(1H-indol-2-ylmethyl)phenyl]-1H-quinolin-2-one (CID 67690386) is 7-chloro-4-hydroxy-3-[3-(1H-indol-2-ylmethyl)phenyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-4-hydroxy-3-[3-(1H-indol-2-ylmethyl)phenyl]-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-4-hydroxy-3-[3-(1H-indol-2-ylmethyl)phenyl]-1H-quinolin-2-one is O=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(Cc2cc3ccccc3[nH]2)c1.
What is the InChIKey of 7-chloro-4-hydroxy-3-[3-(1H-indol-2-ylmethyl)phenyl]-1H-quinolin-2-one?
The InChIKey is GQMRUXPFLAWIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2O2/c25-17-8-9-19-21(13-17)27-24(29)22(23(19)28)16-6-3-4-14(10-16)11-18-12-15-5-1-2-7-20(15)26-18/h1-10,12-13,26H,11H2,(H2,27,28,29).
What are the key properties of 7-chloro-4-hydroxy-3-[3-(1H-indol-2-ylmethyl)phenyl]-1H-quinolin-2-one?
7-chloro-4-hydroxy-3-[3-(1H-indol-2-ylmethyl)phenyl]-1H-quinolin-2-one has a molecular weight of 400.87 g/mol, XLogP of 5.63, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-hydroxy-3-[3-(1H-indol-2-ylmethyl)phenyl]-1H-quinolin-2-one is sourced from PubChem (CID 67690386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).