CID 132544016

C34H24N4O2 — CID 132544016

IUPAC—
SMILESCc1ccc2c(c1)[C@@]1(C(=O)N2Cc2ccccc2)C(C#N)(C#N)[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C34H24N4O2/c1-23-16-17-29-27(18-23)34(31(40)38(29)20-25-12-6-3-7-13-25)32(21-35,22-36)33(34)26-14-8-9-15-28(26)37(30(33)39)19-24-10-4-2-5-11-24/h2-18H,19-20H2,1H3/t33-,34-/m1/s1
InChIKeyQRGKKLNAPBQKLN-KKLWWLSJSA-N
MW520.59 g/mol
LogP5.31
Rot. Bonds4

About CID 132544016

CID 132544016 (PubChem CID 132544016) has the molecular formula C34H24N4O2 and a molecular weight of 520.59 g/mol.

Molecular Properties

Compound NameCID 132544016
PubChem CID132544016
Molecular FormulaC34H24N4O2
Molecular Weight520.59 g/mol
Exact Mass520.19
IUPAC Name—
SMILESCc1ccc2c(c1)[C@@]1(C(=O)N2Cc2ccccc2)C(C#N)(C#N)[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C34H24N4O2/c1-23-16-17-29-27(18-23)34(31(40)38(29)20-25-12-6-3-7-13-25)32(21-35,22-36)33(34)26-14-8-9-15-28(26)37(30(33)39)19-24-10-4-2-5-11-24/h2-18H,19-20H2,1H3/t33-,34-/m1/s1
InChIKeyQRGKKLNAPBQKLN-KKLWWLSJSA-N
XLogP5.31
TPSA88.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.59
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzyl-3,5-dimethyl-2-oxoindol-3-yl)acetonitrile
CID 102395058
tert-butyl N-[(3R)-1-benzyl-3-cyano-5-methyl-2-oxoindol-3-yl]carbamate
CID 71658099
1-benzyl-3-hydroxy-5-methyl-3-(2-methylprop-2-enyl)indol-2-one
CID 162398531
1-benzyl-3-hydroxy-5-methyl-3-[(E)-1-phenylprop-1-enyl]indol-2-one
CID 132571208
(3R)-3-amino-1-benzyl-5-methyl-3-(2-phenylethynyl)indol-2-one
CID 57379529
(1-benzyl-3-cyano-2-oxoindol-3-yl) ethyl carbonate
CID 102343309
1,1''-dibenzyl-5''-chloro-5'-nitro-2,2''-dioxodispiro[indoline-3,1'-cyclopentane-2',3''-indoline]-3',3'-dicarbonitrile
CID 166436430
1-benzyl-3-hydroxy-5-methyl-3-(2H-tetrazol-5-ylmethyl)indol-2-one
CID 127035746
(2R)-1'-benzyl-5'-methylspiro[3H-pyran-2,3'-indole]-2',6-dione
CID 122213350
(3S)-1-benzyl-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 7357342
(3R)-1-benzyl-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 7357344
CID 138963138
CID 138963138

Frequently Asked Questions

What is the IUPAC name of CID 132544016?
The IUPAC name of CID 132544016 (CID 132544016) is not available.
What is the SMILES notation for CID 132544016?
The canonical SMILES for CID 132544016 is Cc1ccc2c(c1)[C@@]1(C(=O)N2Cc2ccccc2)C(C#N)(C#N)[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12.
What is the InChIKey of CID 132544016?
The InChIKey is QRGKKLNAPBQKLN-KKLWWLSJSA-N. The full InChI is InChI=1S/C34H24N4O2/c1-23-16-17-29-27(18-23)34(31(40)38(29)20-25-12-6-3-7-13-25)32(21-35,22-36)33(34)26-14-8-9-15-28(26)37(30(33)39)19-24-10-4-2-5-11-24/h2-18H,19-20H2,1H3/t33-,34-/m1/s1.
What are the key properties of CID 132544016?
CID 132544016 has a molecular weight of 520.59 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 132544016 is sourced from PubChem (CID 132544016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).