(E)-3-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-phenylpent-2-enamide

C22H22N2O2 — CID 75533763

IUPAC(E)-3-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-phenylpent-2-enamide
SMILESC/C(=C\C(=O)NCc1cc(=O)[nH]c2ccccc12)CCc1ccccc1
InChIInChI=1S/C22H22N2O2/c1-16(11-12-17-7-3-2-4-8-17)13-21(25)23-15-18-14-22(26)24-20-10-6-5-9-19(18)20/h2-10,13-14H,11-12,15H2,1H3,(H,23,25)(H,24,26)/b16-13+
InChIKeyIWPUEOWGDRBRHY-DTQAZKPQSA-N
MW346.43 g/mol
LogP3.72
Rot. Bonds6

About (E)-3-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-phenylpent-2-enamide

(E)-3-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-phenylpent-2-enamide (PubChem CID 75533763) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is (E)-3-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-phenylpent-2-enamide.

Molecular Properties

Compound Name(E)-3-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-phenylpent-2-enamide
PubChem CID75533763
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name(E)-3-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-phenylpent-2-enamide
SMILESC/C(=C\C(=O)NCc1cc(=O)[nH]c2ccccc12)CCc1ccccc1
InChIInChI=1S/C22H22N2O2/c1-16(11-12-17-7-3-2-4-8-17)13-21(25)23-15-18-14-22(26)24-20-10-6-5-9-19(18)20/h2-10,13-14H,11-12,15H2,1H3,(H,23,25)(H,24,26)/b16-13+
InChIKeyIWPUEOWGDRBRHY-DTQAZKPQSA-N
XLogP3.72
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 166383305
(Z)-3-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pent-2-enamide
CID 75462488
(Z)-3-methyl-5-phenyl-N-prop-2-ynylpent-2-enamide
CID 75364637
4-[(butan-2-ylamino)methyl]-1H-quinolin-2-one
CID 63553516
2-methyl-3-(methylamino)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide;hydrochloride
CID 119803749
5-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 71863895
N-[(2-oxo-1H-quinolin-4-yl)methyl]bicyclo[1.1.0]butane-1-carboxamide
CID 166427421
2-amino-N-[(2-oxo-1H-quinolin-4-yl)methyl]pentanamide
CID 119335110
1-[(2-oxo-1H-quinolin-4-yl)methyl]-3-[(2R)-2-phenylbutyl]urea
CID 97033524
(E)-N-(1H-indol-3-ylmethyl)-3-phenylbut-2-enamide
CID 110615155
2,3,6-trifluoro-N-[(2-oxo-1H-quinolin-4-yl)methyl]benzamide
CID 86798272
2-(2-methoxyethylamino)-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide;hydrochloride
CID 119803755

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-phenylpent-2-enamide?
The IUPAC name of (E)-3-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-phenylpent-2-enamide (CID 75533763) is (E)-3-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-phenylpent-2-enamide.
What is the SMILES notation for (E)-3-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-phenylpent-2-enamide?
The canonical SMILES for (E)-3-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-phenylpent-2-enamide is C/C(=C\C(=O)NCc1cc(=O)[nH]c2ccccc12)CCc1ccccc1.
What is the InChIKey of (E)-3-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-phenylpent-2-enamide?
The InChIKey is IWPUEOWGDRBRHY-DTQAZKPQSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-16(11-12-17-7-3-2-4-8-17)13-21(25)23-15-18-14-22(26)24-20-10-6-5-9-19(18)20/h2-10,13-14H,11-12,15H2,1H3,(H,23,25)(H,24,26)/b16-13+.
What are the key properties of (E)-3-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-phenylpent-2-enamide?
(E)-3-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-phenylpent-2-enamide has a molecular weight of 346.43 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-phenylpent-2-enamide is sourced from PubChem (CID 75533763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).