(3Z)-5-methyl-2-quinolin-8-yl-3-(thiophen-2-ylmethylidene)isoindol-1-one

C23H16N2OS — CID 102337270

IUPAC(3Z)-5-methyl-2-quinolin-8-yl-3-(thiophen-2-ylmethylidene)isoindol-1-one
SMILESCc1ccc2c(c1)/C(=C/c1cccs1)N(c1cccc3cccnc13)C2=O
InChIInChI=1S/C23H16N2OS/c1-15-9-10-18-19(13-15)21(14-17-7-4-12-27-17)25(23(18)26)20-8-2-5-16-6-3-11-24-22(16)20/h2-14H,1H3/b21-14-
InChIKeyQWPDSNLUZPCGQV-STZFKDTASA-N
MW368.46 g/mol
LogP5.76
Rot. Bonds2

About (3Z)-5-methyl-2-quinolin-8-yl-3-(thiophen-2-ylmethylidene)isoindol-1-one

(3Z)-5-methyl-2-quinolin-8-yl-3-(thiophen-2-ylmethylidene)isoindol-1-one (PubChem CID 102337270) has the molecular formula C23H16N2OS and a molecular weight of 368.46 g/mol. Its IUPAC name is (3Z)-5-methyl-2-quinolin-8-yl-3-(thiophen-2-ylmethylidene)isoindol-1-one.

Molecular Properties

Compound Name(3Z)-5-methyl-2-quinolin-8-yl-3-(thiophen-2-ylmethylidene)isoindol-1-one
PubChem CID102337270
Molecular FormulaC23H16N2OS
Molecular Weight368.46 g/mol
Exact Mass368.10
IUPAC Name(3Z)-5-methyl-2-quinolin-8-yl-3-(thiophen-2-ylmethylidene)isoindol-1-one
SMILESCc1ccc2c(c1)/C(=C/c1cccs1)N(c1cccc3cccnc13)C2=O
InChIInChI=1S/C23H16N2OS/c1-15-9-10-18-19(13-15)21(14-17-7-4-12-27-17)25(23(18)26)20-8-2-5-16-6-3-11-24-22(16)20/h2-14H,1H3/b21-14-
InChIKeyQWPDSNLUZPCGQV-STZFKDTASA-N
XLogP5.76
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.46
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-3-methylidene-2-quinolin-8-ylisoindol-1-one
CID 141397233
(3E)-3-benzylidene-5-methoxy-2-quinolin-8-ylisoindol-1-one
CID 122382793
5,6-dichloro-2-quinolin-8-ylisoindole-1,3-dione
CID 2168091
(3Z)-2-quinolin-8-yl-3-[tri(propan-2-yl)silylmethylidene]isoindol-1-one
CID 166443807
5-bromo-3-methylidene-2-quinolin-8-ylisoindol-1-one
CID 174756197
5-bromo-3-(2,6-dimethylphenyl)imino-2-quinolin-8-ylisoindol-1-one
CID 122202711
3,4-dimethyl-5-methylidene-1-quinolin-8-ylpyrrol-2-one
CID 141397224
3-(2,6-dimethylphenyl)imino-2-quinolin-8-ylpyrrolo[3,4-c]pyridin-1-one
CID 166443239
5-methyl-2-quinolin-8-yl-1,2-benzoselenazol-3-one
CID 122204061
3-quinolin-8-ylimidazolidine-2,4-dione
CID 106702916
4-(4-chlorophenoxy)-2-quinolin-8-ylisoindole-1,3-dione
CID 1329880
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium
CID 155747317

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-methyl-2-quinolin-8-yl-3-(thiophen-2-ylmethylidene)isoindol-1-one?
The IUPAC name of (3Z)-5-methyl-2-quinolin-8-yl-3-(thiophen-2-ylmethylidene)isoindol-1-one (CID 102337270) is (3Z)-5-methyl-2-quinolin-8-yl-3-(thiophen-2-ylmethylidene)isoindol-1-one.
What is the SMILES notation for (3Z)-5-methyl-2-quinolin-8-yl-3-(thiophen-2-ylmethylidene)isoindol-1-one?
The canonical SMILES for (3Z)-5-methyl-2-quinolin-8-yl-3-(thiophen-2-ylmethylidene)isoindol-1-one is Cc1ccc2c(c1)/C(=C/c1cccs1)N(c1cccc3cccnc13)C2=O.
What is the InChIKey of (3Z)-5-methyl-2-quinolin-8-yl-3-(thiophen-2-ylmethylidene)isoindol-1-one?
The InChIKey is QWPDSNLUZPCGQV-STZFKDTASA-N. The full InChI is InChI=1S/C23H16N2OS/c1-15-9-10-18-19(13-15)21(14-17-7-4-12-27-17)25(23(18)26)20-8-2-5-16-6-3-11-24-22(16)20/h2-14H,1H3/b21-14-.
What are the key properties of (3Z)-5-methyl-2-quinolin-8-yl-3-(thiophen-2-ylmethylidene)isoindol-1-one?
(3Z)-5-methyl-2-quinolin-8-yl-3-(thiophen-2-ylmethylidene)isoindol-1-one has a molecular weight of 368.46 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-methyl-2-quinolin-8-yl-3-(thiophen-2-ylmethylidene)isoindol-1-one is sourced from PubChem (CID 102337270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).