4-morpholin-4-yl-2-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)phenyl]prop-1-enyl]quinoline-6-carboxylic acid

C28H27N3O5 — CID 141127616

IUPAC4-morpholin-4-yl-2-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)phenyl]prop-1-enyl]quinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(C=CC(=O)c3ccc(C(=O)N4CCCC4)cc3)cc(N3CCOCC3)c2c1
InChIInChI=1S/C28H27N3O5/c32-26(19-3-5-20(6-4-19)27(33)31-11-1-2-12-31)10-8-22-18-25(30-13-15-36-16-14-30)23-17-21(28(34)35)7-9-24(23)29-22/h3-10,17-18H,1-2,11-16H2,(H,34,35)
InChIKeyZBCKQHPQJKQNNL-UHFFFAOYSA-N
MW485.54 g/mol
LogP3.90
Rot. Bonds6

About 4-morpholin-4-yl-2-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)phenyl]prop-1-enyl]quinoline-6-carboxylic acid

4-morpholin-4-yl-2-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)phenyl]prop-1-enyl]quinoline-6-carboxylic acid (PubChem CID 141127616) has the molecular formula C28H27N3O5 and a molecular weight of 485.54 g/mol. Its IUPAC name is 4-morpholin-4-yl-2-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)phenyl]prop-1-enyl]quinoline-6-carboxylic acid.

Molecular Properties

Compound Name4-morpholin-4-yl-2-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)phenyl]prop-1-enyl]quinoline-6-carboxylic acid
PubChem CID141127616
Molecular FormulaC28H27N3O5
Molecular Weight485.54 g/mol
Exact Mass485.20
IUPAC Name4-morpholin-4-yl-2-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)phenyl]prop-1-enyl]quinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(C=CC(=O)c3ccc(C(=O)N4CCCC4)cc3)cc(N3CCOCC3)c2c1
InChIInChI=1S/C28H27N3O5/c32-26(19-3-5-20(6-4-19)27(33)31-11-1-2-12-31)10-8-22-18-25(30-13-15-36-16-14-30)23-17-21(28(34)35)7-9-24(23)29-22/h3-10,17-18H,1-2,11-16H2,(H,34,35)
InChIKeyZBCKQHPQJKQNNL-UHFFFAOYSA-N
XLogP3.90
TPSA100.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-morpholin-4-yl-2-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)phenyl]prop-1-enyl]quinoline-6-carboxylic acid with MolForge

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Related Compounds

4-[3-(4-morpholin-4-ylquinolin-2-yl)prop-2-enoyl]benzamide
CID 69311793
(E)-1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-quinolin-2-ylprop-2-en-1-one
CID 11595580
4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]benzoic acid
CID 69311769
thiophen-2-ylmethyl N-[4-[3-(4-morpholin-4-ylquinolin-2-yl)prop-2-enoyl]phenyl]carbamate
CID 67013987
1-[4-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]piperazin-1-yl]ethanone
CID 177077574
1-[4-(3-quinolin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxylic acid
CID 67013380
2-methyl-4-piperidin-1-ylquinoline-6-carboxylic acid
CID 7137984
1-(4-methylthiophen-2-yl)-3-[4-[(E)-3-[4-piperidin-1-yl-6-(trifluoromethyl)quinolin-2-yl]prop-2-enoyl]phenyl]urea
CID 67015027
ethyl N-[4-[3-(4-piperidin-1-ylquinolin-2-yl)prop-2-enoyl]phenyl]carbamate
CID 67014201
(E)-3-(1-methylpyrazol-3-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 19541554
4-(pyrrolidine-1-carbonyl)benzoic acid
CID 10932939
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-2-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)phenyl]prop-1-enyl]quinoline-6-carboxylic acid?
The IUPAC name of 4-morpholin-4-yl-2-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)phenyl]prop-1-enyl]quinoline-6-carboxylic acid (CID 141127616) is 4-morpholin-4-yl-2-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)phenyl]prop-1-enyl]quinoline-6-carboxylic acid.
What is the SMILES notation for 4-morpholin-4-yl-2-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)phenyl]prop-1-enyl]quinoline-6-carboxylic acid?
The canonical SMILES for 4-morpholin-4-yl-2-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)phenyl]prop-1-enyl]quinoline-6-carboxylic acid is O=C(O)c1ccc2nc(C=CC(=O)c3ccc(C(=O)N4CCCC4)cc3)cc(N3CCOCC3)c2c1.
What is the InChIKey of 4-morpholin-4-yl-2-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)phenyl]prop-1-enyl]quinoline-6-carboxylic acid?
The InChIKey is ZBCKQHPQJKQNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O5/c32-26(19-3-5-20(6-4-19)27(33)31-11-1-2-12-31)10-8-22-18-25(30-13-15-36-16-14-30)23-17-21(28(34)35)7-9-24(23)29-22/h3-10,17-18H,1-2,11-16H2,(H,34,35).
What are the key properties of 4-morpholin-4-yl-2-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)phenyl]prop-1-enyl]quinoline-6-carboxylic acid?
4-morpholin-4-yl-2-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)phenyl]prop-1-enyl]quinoline-6-carboxylic acid has a molecular weight of 485.54 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-2-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)phenyl]prop-1-enyl]quinoline-6-carboxylic acid is sourced from PubChem (CID 141127616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).