(Z)-but-2-enedioic acid;N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-2-carboxamide

C21H25N3O7 — CID 51057245

IUPAC(Z)-but-2-enedioic acid;N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc(=O)c2ccccc2[nH]1.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C17H21N3O3.C4H4O4/c21-16-12-15(19-14-5-2-1-4-13(14)16)17(22)18-6-3-7-20-8-10-23-11-9-20;5-3(6)1-2-4(7)8/h1-2,4-5,12H,3,6-11H2,(H,18,22)(H,19,21);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyDHBPHIDNABFNLE-BTJKTKAUSA-N
MW431.45 g/mol
LogP0.69
Rot. Bonds7

About (Z)-but-2-enedioic acid;N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-2-carboxamide

(Z)-but-2-enedioic acid;N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-2-carboxamide (PubChem CID 51057245) has the molecular formula C21H25N3O7 and a molecular weight of 431.45 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-2-carboxamide.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-2-carboxamide
PubChem CID51057245
Molecular FormulaC21H25N3O7
Molecular Weight431.45 g/mol
Exact Mass431.17
IUPAC Name(Z)-but-2-enedioic acid;N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc(=O)c2ccccc2[nH]1.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C17H21N3O3.C4H4O4/c21-16-12-15(19-14-5-2-1-4-13(14)16)17(22)18-6-3-7-20-8-10-23-11-9-20;5-3(6)1-2-4(7)8/h1-2,4-5,12H,3,6-11H2,(H,18,22)(H,19,21);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyDHBPHIDNABFNLE-BTJKTKAUSA-N
XLogP0.69
TPSA149.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 50.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (Z)-but-2-enedioic acid;N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-fluoro-N-(4-morpholin-4-ylbutyl)-4-oxo-1H-quinoline-2-carboxamide;methanesulfonic acid
CID 163332628
N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107261436
N-(3-morpholin-4-ylpropyl)-6-oxo-5H-phenanthridine-3-carboxamide
CID 67424998
5-methoxy-N-(3-morpholin-4-ylpropyl)-4-oxo-1H-pyridine-2-carboxamide
CID 125431560
2-[2-[(4-oxo-1H-quinoline-2-carbonyl)amino]ethoxy]acetic acid
CID 79469166
N-(2-morpholin-4-ylethyl)-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide
CID 110332072
(E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
CID 2319063
[5-hydroxy-2-(2-morpholin-4-ylethylcarbamoyl)-1H-indol-4-yl] formate
CID 174680738
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
3-bromo-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-1H-indole-5-carboxamide
CID 59508042
N'-[2-(1H-indol-3-yl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 44902823
N-(9H-carbazol-2-yl)-4-morpholin-4-ylbutanamide
CID 91294908

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-2-carboxamide?
The IUPAC name of (Z)-but-2-enedioic acid;N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-2-carboxamide (CID 51057245) is (Z)-but-2-enedioic acid;N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-2-carboxamide.
What is the SMILES notation for (Z)-but-2-enedioic acid;N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-2-carboxamide?
The canonical SMILES for (Z)-but-2-enedioic acid;N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-2-carboxamide is O=C(NCCCN1CCOCC1)c1cc(=O)c2ccccc2[nH]1.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-2-carboxamide?
The InChIKey is DHBPHIDNABFNLE-BTJKTKAUSA-N. The full InChI is InChI=1S/C17H21N3O3.C4H4O4/c21-16-12-15(19-14-5-2-1-4-13(14)16)17(22)18-6-3-7-20-8-10-23-11-9-20;5-3(6)1-2-4(7)8/h1-2,4-5,12H,3,6-11H2,(H,18,22)(H,19,21);1-2H,(H,5,6)(H,7,8)/b;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-2-carboxamide?
(Z)-but-2-enedioic acid;N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-2-carboxamide has a molecular weight of 431.45 g/mol, XLogP of 0.69, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-2-carboxamide is sourced from PubChem (CID 51057245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).