methane;(E)-N-methyl-N-[(E)-2-methyl-1-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholin-4-yl]but-1-enyl]-3-pyridin-4-ylbut-2-enamide

C29H38N4O3 — CID 143197834

IUPACmethane;(E)-N-methyl-N-[(E)-2-methyl-1-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholin-4-yl]but-1-enyl]-3-pyridin-4-ylbut-2-enamide
SMILESC.CC/C(C)=C(\N1CCOC(c2ccc3c(c2)CCC(=O)N3)C1)N(C)C(=O)/C=C(\C)c1ccncc1
InChIInChI=1S/C28H34N4O3.CH4/c1-5-19(2)28(31(4)27(34)16-20(3)21-10-12-29-13-11-21)32-14-15-35-25(18-32)23-6-8-24-22(17-23)7-9-26(33)30-24;/h6,8,10-13,16-17,25H,5,7,9,14-15,18H2,1-4H3,(H,30,33);1H4/b20-16+,28-19-;
InChIKeyZEYGABLNFFWFEJ-BWKUAFGMSA-N
MW490.65 g/mol
LogP5.18
Rot. Bonds6

About methane;(E)-N-methyl-N-[(E)-2-methyl-1-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholin-4-yl]but-1-enyl]-3-pyridin-4-ylbut-2-enamide

methane;(E)-N-methyl-N-[(E)-2-methyl-1-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholin-4-yl]but-1-enyl]-3-pyridin-4-ylbut-2-enamide (PubChem CID 143197834) has the molecular formula C29H38N4O3 and a molecular weight of 490.65 g/mol. Its IUPAC name is methane;(E)-N-methyl-N-[(E)-2-methyl-1-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholin-4-yl]but-1-enyl]-3-pyridin-4-ylbut-2-enamide.

Molecular Properties

Compound Namemethane;(E)-N-methyl-N-[(E)-2-methyl-1-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholin-4-yl]but-1-enyl]-3-pyridin-4-ylbut-2-enamide
PubChem CID143197834
Molecular FormulaC29H38N4O3
Molecular Weight490.65 g/mol
Exact Mass490.29
IUPAC Namemethane;(E)-N-methyl-N-[(E)-2-methyl-1-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholin-4-yl]but-1-enyl]-3-pyridin-4-ylbut-2-enamide
SMILESC.CC/C(C)=C(\N1CCOC(c2ccc3c(c2)CCC(=O)N3)C1)N(C)C(=O)/C=C(\C)c1ccncc1
InChIInChI=1S/C28H34N4O3.CH4/c1-5-19(2)28(31(4)27(34)16-20(3)21-10-12-29-13-11-21)32-14-15-35-25(18-32)23-6-8-24-22(17-23)7-9-26(33)30-24;/h6,8,10-13,16-17,25H,5,7,9,14-15,18H2,1-4H3,(H,30,33);1H4/b20-16+,28-19-;
InChIKeyZEYGABLNFFWFEJ-BWKUAFGMSA-N
XLogP5.18
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.65
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methane;(E)-N-methyl-N-[(E)-2-methyl-1-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholin-4-yl]but-1-enyl]-3-pyridin-4-ylbut-2-enamide with MolForge

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Launch Full Analysis

Related Compounds

(E)-N-[1-[2-(4-anilinophenyl)morpholin-4-yl]ethenyl]-N-methyl-3-pyridin-4-ylbut-2-enamide;methanethioamide
CID 143197818
(2R)-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholine-4-sulfonyl fluoride
CID 155926233
7-fluoro-6-[2-(4-fluorophenyl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 139009064
6-[(2R)-oxiran-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 95436529
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18130814
5,5-dimethyl-3-[2-oxo-2-(2-pyridin-4-ylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione
CID 110102604
6-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 94014711
6-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 86911989
6-(4-butanoylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 110800015
1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 95180794
6-(1,3-oxazolidin-5-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82472049
6-(4-propanoylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 110817203

Frequently Asked Questions

What is the IUPAC name of methane;(E)-N-methyl-N-[(E)-2-methyl-1-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholin-4-yl]but-1-enyl]-3-pyridin-4-ylbut-2-enamide?
The IUPAC name of methane;(E)-N-methyl-N-[(E)-2-methyl-1-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholin-4-yl]but-1-enyl]-3-pyridin-4-ylbut-2-enamide (CID 143197834) is methane;(E)-N-methyl-N-[(E)-2-methyl-1-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholin-4-yl]but-1-enyl]-3-pyridin-4-ylbut-2-enamide.
What is the SMILES notation for methane;(E)-N-methyl-N-[(E)-2-methyl-1-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholin-4-yl]but-1-enyl]-3-pyridin-4-ylbut-2-enamide?
The canonical SMILES for methane;(E)-N-methyl-N-[(E)-2-methyl-1-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholin-4-yl]but-1-enyl]-3-pyridin-4-ylbut-2-enamide is C.CC/C(C)=C(\N1CCOC(c2ccc3c(c2)CCC(=O)N3)C1)N(C)C(=O)/C=C(\C)c1ccncc1.
What is the InChIKey of methane;(E)-N-methyl-N-[(E)-2-methyl-1-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholin-4-yl]but-1-enyl]-3-pyridin-4-ylbut-2-enamide?
The InChIKey is ZEYGABLNFFWFEJ-BWKUAFGMSA-N. The full InChI is InChI=1S/C28H34N4O3.CH4/c1-5-19(2)28(31(4)27(34)16-20(3)21-10-12-29-13-11-21)32-14-15-35-25(18-32)23-6-8-24-22(17-23)7-9-26(33)30-24;/h6,8,10-13,16-17,25H,5,7,9,14-15,18H2,1-4H3,(H,30,33);1H4/b20-16+,28-19-;.
What are the key properties of methane;(E)-N-methyl-N-[(E)-2-methyl-1-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholin-4-yl]but-1-enyl]-3-pyridin-4-ylbut-2-enamide?
methane;(E)-N-methyl-N-[(E)-2-methyl-1-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholin-4-yl]but-1-enyl]-3-pyridin-4-ylbut-2-enamide has a molecular weight of 490.65 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(E)-N-methyl-N-[(E)-2-methyl-1-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholin-4-yl]but-1-enyl]-3-pyridin-4-ylbut-2-enamide is sourced from PubChem (CID 143197834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).