4-(4-fluorophenyl)-3-(1-morpholin-4-ylethylideneamino)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid;morpholine

C28H33FN4O4S — CID 110193572

IUPAC4-(4-fluorophenyl)-3-(1-morpholin-4-ylethylideneamino)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid;morpholine
SMILESC/C(=N\c1c(C(=O)O)sc2nc3c(c(-c4ccc(F)cc4)c12)CCCC3)N1CCOCC1.C1COCCN1
InChIInChI=1S/C24H24FN3O3S.C4H9NO/c1-14(28-10-12-31-13-11-28)26-21-20-19(15-6-8-16(25)9-7-15)17-4-2-3-5-18(17)27-23(20)32-22(21)24(29)30;1-3-6-4-2-5-1/h6-9H,2-5,10-13H2,1H3,(H,29,30);5H,1-4H2/b26-14+;
InChIKeyBKZICDRLKNZUGP-BCUBJXSGSA-N
MW540.66 g/mol
LogP4.67
Rot. Bonds3

About 4-(4-fluorophenyl)-3-(1-morpholin-4-ylethylideneamino)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid;morpholine

4-(4-fluorophenyl)-3-(1-morpholin-4-ylethylideneamino)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid;morpholine (PubChem CID 110193572) has the molecular formula C28H33FN4O4S and a molecular weight of 540.66 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-(1-morpholin-4-ylethylideneamino)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid;morpholine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-(1-morpholin-4-ylethylideneamino)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid;morpholine
PubChem CID110193572
Molecular FormulaC28H33FN4O4S
Molecular Weight540.66 g/mol
Exact Mass540.22
IUPAC Name4-(4-fluorophenyl)-3-(1-morpholin-4-ylethylideneamino)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid;morpholine
SMILESC/C(=N\c1c(C(=O)O)sc2nc3c(c(-c4ccc(F)cc4)c12)CCCC3)N1CCOCC1.C1COCCN1
InChIInChI=1S/C24H24FN3O3S.C4H9NO/c1-14(28-10-12-31-13-11-28)26-21-20-19(15-6-8-16(25)9-7-15)17-4-2-3-5-18(17)27-23(20)32-22(21)24(29)30;1-3-6-4-2-5-1/h6-9H,2-5,10-13H2,1H3,(H,29,30);5H,1-4H2/b26-14+;
InChIKeyBKZICDRLKNZUGP-BCUBJXSGSA-N
XLogP4.67
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.66
LogP ≤ 54.67
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 4-(4-fluorophenyl)-3-(1-morpholin-4-ylethylideneamino)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid;morpholine with MolForge

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Related Compounds

4-(4-fluorophenyl)-3-(propan-2-ylideneamino)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid
CID 110193577
4-(4-fluorophenyl)-3-(piperidin-1-ylmethylideneamino)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid;piperidine
CID 110193592
morpholine;3-(1-morpholin-4-ylethylideneamino)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 110193712
6-(4-methoxyphenyl)-4-methyl-3-(1-morpholin-4-ylethylideneamino)thieno[2,3-b]pyridine-2-carboxylic acid
CID 10365087
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-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid
CID 10338484
4-(4-fluorophenyl)-6-methyl-3-(propan-2-ylideneamino)thieno[2,3-b]pyridine-2-carboxylic acid
CID 110193583
4-methyl-3-(1-morpholin-4-ylpropylideneamino)-6-phenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 10409250
N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-4-fluorobenzamide
CID 17446260
3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1315700
6-amino-8-[4-(dimethylamino)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide
CID 178081700

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-(1-morpholin-4-ylethylideneamino)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid;morpholine?
The IUPAC name of 4-(4-fluorophenyl)-3-(1-morpholin-4-ylethylideneamino)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid;morpholine (CID 110193572) is 4-(4-fluorophenyl)-3-(1-morpholin-4-ylethylideneamino)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid;morpholine.
What is the SMILES notation for 4-(4-fluorophenyl)-3-(1-morpholin-4-ylethylideneamino)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid;morpholine?
The canonical SMILES for 4-(4-fluorophenyl)-3-(1-morpholin-4-ylethylideneamino)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid;morpholine is C/C(=N\c1c(C(=O)O)sc2nc3c(c(-c4ccc(F)cc4)c12)CCCC3)N1CCOCC1.C1COCCN1.
What is the InChIKey of 4-(4-fluorophenyl)-3-(1-morpholin-4-ylethylideneamino)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid;morpholine?
The InChIKey is BKZICDRLKNZUGP-BCUBJXSGSA-N. The full InChI is InChI=1S/C24H24FN3O3S.C4H9NO/c1-14(28-10-12-31-13-11-28)26-21-20-19(15-6-8-16(25)9-7-15)17-4-2-3-5-18(17)27-23(20)32-22(21)24(29)30;1-3-6-4-2-5-1/h6-9H,2-5,10-13H2,1H3,(H,29,30);5H,1-4H2/b26-14+;.
What are the key properties of 4-(4-fluorophenyl)-3-(1-morpholin-4-ylethylideneamino)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid;morpholine?
4-(4-fluorophenyl)-3-(1-morpholin-4-ylethylideneamino)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid;morpholine has a molecular weight of 540.66 g/mol, XLogP of 4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-(1-morpholin-4-ylethylideneamino)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid;morpholine is sourced from PubChem (CID 110193572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).