methyl 1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate

C26H26N2O4S — CID 134033484

IUPACmethyl 1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate
SMILESCOC(=O)c1cccc2c1CCCN2C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C26H26N2O4S/c1-31-26(30)20-9-5-11-22-19(20)10-6-12-28(22)24(29)23-17-21(18-7-3-2-4-8-18)25(33-23)27-13-15-32-16-14-27/h2-5,7-9,11,17H,6,10,12-16H2,1H3
InChIKeySHQSZJIUQACHGH-UHFFFAOYSA-N
MW462.57 g/mol
LogP4.63
Rot. Bonds4

About methyl 1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate

methyl 1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate (PubChem CID 134033484) has the molecular formula C26H26N2O4S and a molecular weight of 462.57 g/mol. Its IUPAC name is methyl 1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate
PubChem CID134033484
Molecular FormulaC26H26N2O4S
Molecular Weight462.57 g/mol
Exact Mass462.16
IUPAC Namemethyl 1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate
SMILESCOC(=O)c1cccc2c1CCCN2C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C26H26N2O4S/c1-31-26(30)20-9-5-11-22-19(20)10-6-12-28(22)24(29)23-17-21(18-7-3-2-4-8-18)25(33-23)27-13-15-32-16-14-27/h2-5,7-9,11,17H,6,10,12-16H2,1H3
InChIKeySHQSZJIUQACHGH-UHFFFAOYSA-N
XLogP4.63
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate?
The IUPAC name of methyl 1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate (CID 134033484) is methyl 1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate.
What is the SMILES notation for methyl 1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate?
The canonical SMILES for methyl 1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate is COC(=O)c1cccc2c1CCCN2C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1.
What is the InChIKey of methyl 1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate?
The InChIKey is SHQSZJIUQACHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4S/c1-31-26(30)20-9-5-11-22-19(20)10-6-12-28(22)24(29)23-17-21(18-7-3-2-4-8-18)25(33-23)27-13-15-32-16-14-27/h2-5,7-9,11,17H,6,10,12-16H2,1H3.
What are the key properties of methyl 1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate?
methyl 1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate has a molecular weight of 462.57 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate is sourced from PubChem (CID 134033484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).