6-methoxy-N-phenyl-N-prop-2-enylthieno[2,3-b]quinoline-2-carboxamide

C22H18N2O2S — CID 6621724

IUPAC6-methoxy-N-phenyl-N-prop-2-enylthieno[2,3-b]quinoline-2-carboxamide
SMILESC=CCN(C(=O)c1cc2cc3cc(OC)ccc3nc2s1)c1ccccc1
InChIInChI=1S/C22H18N2O2S/c1-3-11-24(17-7-5-4-6-8-17)22(25)20-14-16-12-15-13-18(26-2)9-10-19(15)23-21(16)27-20/h3-10,12-14H,1,11H2,2H3
InChIKeyRYDWYBQMTBEKJD-UHFFFAOYSA-N
MW374.47 g/mol
LogP5.29
Rot. Bonds5

About 6-methoxy-N-phenyl-N-prop-2-enylthieno[2,3-b]quinoline-2-carboxamide

6-methoxy-N-phenyl-N-prop-2-enylthieno[2,3-b]quinoline-2-carboxamide (PubChem CID 6621724) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 6-methoxy-N-phenyl-N-prop-2-enylthieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-phenyl-N-prop-2-enylthieno[2,3-b]quinoline-2-carboxamide
PubChem CID6621724
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name6-methoxy-N-phenyl-N-prop-2-enylthieno[2,3-b]quinoline-2-carboxamide
SMILESC=CCN(C(=O)c1cc2cc3cc(OC)ccc3nc2s1)c1ccccc1
InChIInChI=1S/C22H18N2O2S/c1-3-11-24(17-7-5-4-6-8-17)22(25)20-14-16-12-15-13-18(26-2)9-10-19(15)23-21(16)27-20/h3-10,12-14H,1,11H2,2H3
InChIKeyRYDWYBQMTBEKJD-UHFFFAOYSA-N
XLogP5.29
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-methoxy-N-phenyl-N-prop-2-enylthieno[2,3-b]quinoline-2-carboxamide with MolForge

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Related Compounds

6-methoxy-N-[(2-methoxyphenyl)methyl]thieno[2,3-b]quinoline-2-carboxamide
CID 22434613
N-benzyl-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 15997237
N-(2,5-dimethoxyphenyl)-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 131841617
(6-methoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone
CID 3298499
6-methoxy-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]quinoline-2-carboxamide
CID 15995302
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-phenyl-N-prop-2-enylbenzamide
CID 43052353
3-(4-methoxyphenyl)-N-phenyl-N-prop-2-enylpropanamide
CID 52564357
N-[(5-bromo-2-methoxyphenyl)methyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 15999971
6-methoxy-N-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide
CID 5189392
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-prop-2-enylbenzamide
CID 4044271
O-(2,3-dimethylquinoxalin-6-yl) N-phenyl-N-prop-2-enylcarbamothioate
CID 3252911
2-(4-methoxyphenyl)-1-oxo-N-phenyl-N-prop-2-enylisoquinoline-4-carboxamide
CID 22549580

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-phenyl-N-prop-2-enylthieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 6-methoxy-N-phenyl-N-prop-2-enylthieno[2,3-b]quinoline-2-carboxamide (CID 6621724) is 6-methoxy-N-phenyl-N-prop-2-enylthieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-phenyl-N-prop-2-enylthieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 6-methoxy-N-phenyl-N-prop-2-enylthieno[2,3-b]quinoline-2-carboxamide is C=CCN(C(=O)c1cc2cc3cc(OC)ccc3nc2s1)c1ccccc1.
What is the InChIKey of 6-methoxy-N-phenyl-N-prop-2-enylthieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is RYDWYBQMTBEKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-3-11-24(17-7-5-4-6-8-17)22(25)20-14-16-12-15-13-18(26-2)9-10-19(15)23-21(16)27-20/h3-10,12-14H,1,11H2,2H3.
What are the key properties of 6-methoxy-N-phenyl-N-prop-2-enylthieno[2,3-b]quinoline-2-carboxamide?
6-methoxy-N-phenyl-N-prop-2-enylthieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-phenyl-N-prop-2-enylthieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 6621724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).