6-chloro-3-[1-(4-chloroanilino)-3-oxoinden-2-yl]-4-phenyl-1H-quinolin-2-one

C30H18Cl2N2O2 — CID 10744259

IUPAC6-chloro-3-[1-(4-chloroanilino)-3-oxoinden-2-yl]-4-phenyl-1H-quinolin-2-one
SMILESO=C1C(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)=C(Nc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C30H18Cl2N2O2/c31-18-10-13-20(14-11-18)33-28-21-8-4-5-9-22(21)29(35)27(28)26-25(17-6-2-1-3-7-17)23-16-19(32)12-15-24(23)34-30(26)36/h1-16,33H,(H,34,36)
InChIKeyPUTLNRLSIFURKG-UHFFFAOYSA-N
MW509.39 g/mol
LogP7.68
Rot. Bonds4

About 6-chloro-3-[1-(4-chloroanilino)-3-oxoinden-2-yl]-4-phenyl-1H-quinolin-2-one

6-chloro-3-[1-(4-chloroanilino)-3-oxoinden-2-yl]-4-phenyl-1H-quinolin-2-one (PubChem CID 10744259) has the molecular formula C30H18Cl2N2O2 and a molecular weight of 509.39 g/mol. Its IUPAC name is 6-chloro-3-[1-(4-chloroanilino)-3-oxoinden-2-yl]-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[1-(4-chloroanilino)-3-oxoinden-2-yl]-4-phenyl-1H-quinolin-2-one
PubChem CID10744259
Molecular FormulaC30H18Cl2N2O2
Molecular Weight509.39 g/mol
Exact Mass508.07
IUPAC Name6-chloro-3-[1-(4-chloroanilino)-3-oxoinden-2-yl]-4-phenyl-1H-quinolin-2-one
SMILESO=C1C(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)=C(Nc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C30H18Cl2N2O2/c31-18-10-13-20(14-11-18)33-28-21-8-4-5-9-22(21)29(35)27(28)26-25(17-6-2-1-3-7-17)23-16-19(32)12-15-24(23)34-30(26)36/h1-16,33H,(H,34,36)
InChIKeyPUTLNRLSIFURKG-UHFFFAOYSA-N
XLogP7.68
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.39
LogP ≤ 57.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3-(dimethylamino)-4-phenyl-1H-quinolin-2-one
CID 3446328
(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl) acetate
CID 174726646
N-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)acetamide
CID 44561346
6-chloro-3-cyclohexa-1,5-dien-1-yl-4-phenyl-1H-quinolin-2-one
CID 142993457
6-chloro-4-phenyl-3-pyrrolidin-1-yl-1H-quinolin-2-one
CID 715752
3-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]propanoic acid
CID 4157880
3-amino-6-chloro-4-(2-fluorophenyl)-1H-quinolin-2-one
CID 44561344
3-(4-bromoanilino)-2-phenylinden-1-one
CID 5224479
ethyl 3-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)benzoate
CID 59654994
7-chloro-2-oxo-3-phenyl-1H-quinoline-4-carbonyl chloride
CID 10495745
16-chloro-12-oxa-20-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),4,6,8,14(19),15,17-octaene-3,10,21-trione
CID 155813345
6-chloro-4-phenyl-3-[5-(2-phenylethenyl)-4,5-dihydro-1H-pyrazol-3-yl]-1H-quinolin-2-one
CID 135468918

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-(4-chloroanilino)-3-oxoinden-2-yl]-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[1-(4-chloroanilino)-3-oxoinden-2-yl]-4-phenyl-1H-quinolin-2-one (CID 10744259) is 6-chloro-3-[1-(4-chloroanilino)-3-oxoinden-2-yl]-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[1-(4-chloroanilino)-3-oxoinden-2-yl]-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[1-(4-chloroanilino)-3-oxoinden-2-yl]-4-phenyl-1H-quinolin-2-one is O=C1C(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)=C(Nc2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of 6-chloro-3-[1-(4-chloroanilino)-3-oxoinden-2-yl]-4-phenyl-1H-quinolin-2-one?
The InChIKey is PUTLNRLSIFURKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18Cl2N2O2/c31-18-10-13-20(14-11-18)33-28-21-8-4-5-9-22(21)29(35)27(28)26-25(17-6-2-1-3-7-17)23-16-19(32)12-15-24(23)34-30(26)36/h1-16,33H,(H,34,36).
What are the key properties of 6-chloro-3-[1-(4-chloroanilino)-3-oxoinden-2-yl]-4-phenyl-1H-quinolin-2-one?
6-chloro-3-[1-(4-chloroanilino)-3-oxoinden-2-yl]-4-phenyl-1H-quinolin-2-one has a molecular weight of 509.39 g/mol, XLogP of 7.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[1-(4-chloroanilino)-3-oxoinden-2-yl]-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 10744259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).