2-morpholin-4-yl-2-oxo-N-[4-[(E)-3-(2-piperidin-1-ylquinolin-3-yl)prop-2-enoyl]phenyl]acetamide

C29H30N4O4 — CID 11684723

IUPAC2-morpholin-4-yl-2-oxo-N-[4-[(E)-3-(2-piperidin-1-ylquinolin-3-yl)prop-2-enoyl]phenyl]acetamide
SMILESO=C(Nc1ccc(C(=O)/C=C/c2cc3ccccc3nc2N2CCCCC2)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C29H30N4O4/c34-26(21-8-11-24(12-9-21)30-28(35)29(36)33-16-18-37-19-17-33)13-10-23-20-22-6-2-3-7-25(22)31-27(23)32-14-4-1-5-15-32/h2-3,6-13,20H,1,4-5,14-19H2,(H,30,35)/b13-10+
InChIKeyODPWBTIZLDETSL-JLHYYAGUSA-N
MW498.58 g/mol
LogP3.92
Rot. Bonds5

About 2-morpholin-4-yl-2-oxo-N-[4-[(E)-3-(2-piperidin-1-ylquinolin-3-yl)prop-2-enoyl]phenyl]acetamide

2-morpholin-4-yl-2-oxo-N-[4-[(E)-3-(2-piperidin-1-ylquinolin-3-yl)prop-2-enoyl]phenyl]acetamide (PubChem CID 11684723) has the molecular formula C29H30N4O4 and a molecular weight of 498.58 g/mol. Its IUPAC name is 2-morpholin-4-yl-2-oxo-N-[4-[(E)-3-(2-piperidin-1-ylquinolin-3-yl)prop-2-enoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-2-oxo-N-[4-[(E)-3-(2-piperidin-1-ylquinolin-3-yl)prop-2-enoyl]phenyl]acetamide
PubChem CID11684723
Molecular FormulaC29H30N4O4
Molecular Weight498.58 g/mol
Exact Mass498.23
IUPAC Name2-morpholin-4-yl-2-oxo-N-[4-[(E)-3-(2-piperidin-1-ylquinolin-3-yl)prop-2-enoyl]phenyl]acetamide
SMILESO=C(Nc1ccc(C(=O)/C=C/c2cc3ccccc3nc2N2CCCCC2)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C29H30N4O4/c34-26(21-8-11-24(12-9-21)30-28(35)29(36)33-16-18-37-19-17-33)13-10-23-20-22-6-2-3-7-25(22)31-27(23)32-14-4-1-5-15-32/h2-3,6-13,20H,1,4-5,14-19H2,(H,30,35)/b13-10+
InChIKeyODPWBTIZLDETSL-JLHYYAGUSA-N
XLogP3.92
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-chloroquinolin-3-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 40564659
(E)-3-(2-morpholin-4-ylquinolin-3-yl)-1-(3-prop-2-ynoxyphenyl)prop-2-en-1-one
CID 134811826
(E)-1-[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]-3-(2-piperidin-1-ylquinolin-3-yl)prop-2-en-1-one
CID 156580186
1-(3-hydroxy-1-adamantyl)-3-(2-morpholin-4-ylquinolin-3-yl)prop-2-en-1-one
CID 126802475
N'-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]oxamide
CID 67014396
(E)-3-(6-methyl-2-morpholin-4-ylquinolin-3-yl)prop-2-enamide
CID 170877903
(E)-1-(4-piperidin-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one
CID 19560920
2-[3-(morpholine-4-carbonyl)azetidin-1-yl]quinoline-3-carbonitrile
CID 163353105
2-morpholin-4-yl-N-naphthalen-1-yl-2-oxoacetamide
CID 7333640
(4-morpholin-4-ylsulfonylpiperazin-1-yl)-(2-pyrrolidin-1-ylquinolin-3-yl)methanone
CID 56515869
ethyl N-[4-[3-(4-piperidin-1-ylquinolin-2-yl)prop-2-enoyl]phenyl]carbamate
CID 67014201
ethyl 4-[(2-morpholin-4-yl-2-oxoacetyl)amino]benzoate
CID 2250451

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-2-oxo-N-[4-[(E)-3-(2-piperidin-1-ylquinolin-3-yl)prop-2-enoyl]phenyl]acetamide?
The IUPAC name of 2-morpholin-4-yl-2-oxo-N-[4-[(E)-3-(2-piperidin-1-ylquinolin-3-yl)prop-2-enoyl]phenyl]acetamide (CID 11684723) is 2-morpholin-4-yl-2-oxo-N-[4-[(E)-3-(2-piperidin-1-ylquinolin-3-yl)prop-2-enoyl]phenyl]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-2-oxo-N-[4-[(E)-3-(2-piperidin-1-ylquinolin-3-yl)prop-2-enoyl]phenyl]acetamide?
The canonical SMILES for 2-morpholin-4-yl-2-oxo-N-[4-[(E)-3-(2-piperidin-1-ylquinolin-3-yl)prop-2-enoyl]phenyl]acetamide is O=C(Nc1ccc(C(=O)/C=C/c2cc3ccccc3nc2N2CCCCC2)cc1)C(=O)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-2-oxo-N-[4-[(E)-3-(2-piperidin-1-ylquinolin-3-yl)prop-2-enoyl]phenyl]acetamide?
The InChIKey is ODPWBTIZLDETSL-JLHYYAGUSA-N. The full InChI is InChI=1S/C29H30N4O4/c34-26(21-8-11-24(12-9-21)30-28(35)29(36)33-16-18-37-19-17-33)13-10-23-20-22-6-2-3-7-25(22)31-27(23)32-14-4-1-5-15-32/h2-3,6-13,20H,1,4-5,14-19H2,(H,30,35)/b13-10+.
What are the key properties of 2-morpholin-4-yl-2-oxo-N-[4-[(E)-3-(2-piperidin-1-ylquinolin-3-yl)prop-2-enoyl]phenyl]acetamide?
2-morpholin-4-yl-2-oxo-N-[4-[(E)-3-(2-piperidin-1-ylquinolin-3-yl)prop-2-enoyl]phenyl]acetamide has a molecular weight of 498.58 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-2-oxo-N-[4-[(E)-3-(2-piperidin-1-ylquinolin-3-yl)prop-2-enoyl]phenyl]acetamide is sourced from PubChem (CID 11684723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).