morpholine;3-(1-morpholin-4-ylethylideneamino)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid

C30H32N4O4S — CID 110193712

IUPACmorpholine;3-(1-morpholin-4-ylethylideneamino)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESC/C(=N\c1c(C(=O)O)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12)N1CCOCC1.C1COCCN1
InChIInChI=1S/C26H23N3O3S.C4H9NO/c1-17(29-12-14-32-15-13-29)27-23-22-20(18-8-4-2-5-9-18)16-21(19-10-6-3-7-11-19)28-25(22)33-24(23)26(30)31;1-3-6-4-2-5-1/h2-11,16H,12-15H2,1H3,(H,30,31);5H,1-4H2/b27-17+;
InChIKeySSOBCHLUFBWCKH-ZKDABKAQSA-N
MW544.68 g/mol
LogP5.32
Rot. Bonds4

About morpholine;3-(1-morpholin-4-ylethylideneamino)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid

morpholine;3-(1-morpholin-4-ylethylideneamino)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 110193712) has the molecular formula C30H32N4O4S and a molecular weight of 544.68 g/mol. Its IUPAC name is morpholine;3-(1-morpholin-4-ylethylideneamino)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Namemorpholine;3-(1-morpholin-4-ylethylideneamino)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID110193712
Molecular FormulaC30H32N4O4S
Molecular Weight544.68 g/mol
Exact Mass544.21
IUPAC Namemorpholine;3-(1-morpholin-4-ylethylideneamino)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESC/C(=N\c1c(C(=O)O)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12)N1CCOCC1.C1COCCN1
InChIInChI=1S/C26H23N3O3S.C4H9NO/c1-17(29-12-14-32-15-13-29)27-23-22-20(18-8-4-2-5-9-18)16-21(19-10-6-3-7-11-19)28-25(22)33-24(23)26(30)31;1-3-6-4-2-5-1/h2-11,16H,12-15H2,1H3,(H,30,31);5H,1-4H2/b27-17+;
InChIKeySSOBCHLUFBWCKH-ZKDABKAQSA-N
XLogP5.32
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.68
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze morpholine;3-(1-morpholin-4-ylethylideneamino)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

6-(4-methoxyphenyl)-4-methyl-3-(1-morpholin-4-ylethylideneamino)thieno[2,3-b]pyridine-2-carboxylic acid
CID 10365087
4-methyl-3-(1-morpholin-4-ylpropylideneamino)-6-phenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 10409250
4-(4-fluorophenyl)-3-(1-morpholin-4-ylethylideneamino)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid;morpholine
CID 110193572
4-(4-fluorophenyl)-6-(furan-2-yl)-3-(1-piperidin-1-ylethylideneamino)thieno[2,3-b]pyridine-2-carboxylic acid
CID 10004597
6-(4-bromophenyl)-4-methyl-3-(1-piperidin-1-ylethylideneamino)thieno[2,3-b]pyridine-2-carboxylic acid;piperidine;hydrate
CID 110193543
[3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone
CID 1147313
3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 683021
6-methyl-3-(1-piperidin-1-ylethylideneamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid
CID 10092352
[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone
CID 1157649
propan-2-yl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 10342251
4-(4-fluorophenyl)-6-methyl-3-(propan-2-ylideneamino)thieno[2,3-b]pyridine-2-carboxylic acid
CID 110193583
3-azido-N-methyl-N,4,6-triphenylthieno[2,3-b]pyridine-2-carboxamide
CID 139267566

Frequently Asked Questions

What is the IUPAC name of morpholine;3-(1-morpholin-4-ylethylideneamino)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of morpholine;3-(1-morpholin-4-ylethylideneamino)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid (CID 110193712) is morpholine;3-(1-morpholin-4-ylethylideneamino)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for morpholine;3-(1-morpholin-4-ylethylideneamino)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for morpholine;3-(1-morpholin-4-ylethylideneamino)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid is C/C(=N\c1c(C(=O)O)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12)N1CCOCC1.C1COCCN1.
What is the InChIKey of morpholine;3-(1-morpholin-4-ylethylideneamino)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is SSOBCHLUFBWCKH-ZKDABKAQSA-N. The full InChI is InChI=1S/C26H23N3O3S.C4H9NO/c1-17(29-12-14-32-15-13-29)27-23-22-20(18-8-4-2-5-9-18)16-21(19-10-6-3-7-11-19)28-25(22)33-24(23)26(30)31;1-3-6-4-2-5-1/h2-11,16H,12-15H2,1H3,(H,30,31);5H,1-4H2/b27-17+;.
What are the key properties of morpholine;3-(1-morpholin-4-ylethylideneamino)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid?
morpholine;3-(1-morpholin-4-ylethylideneamino)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 544.68 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine;3-(1-morpholin-4-ylethylideneamino)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 110193712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).