3-[5-[(2-cyanoquinolin-4-yl)-methylamino]-2-methoxyphenyl]-N-hydroxyprop-2-enamide

C21H18N4O3 — CID 175964387

IUPAC3-[5-[(2-cyanoquinolin-4-yl)-methylamino]-2-methoxyphenyl]-N-hydroxyprop-2-enamide
SMILESCOc1ccc(N(C)c2cc(C#N)nc3ccccc23)cc1C=CC(=O)NO
InChIInChI=1S/C21H18N4O3/c1-25(19-12-15(13-22)23-18-6-4-3-5-17(18)19)16-8-9-20(28-2)14(11-16)7-10-21(26)24-27/h3-12,27H,1-2H3,(H,24,26)
InChIKeyQHXOKFICRLZQNX-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.40
Rot. Bonds5

About 3-[5-[(2-cyanoquinolin-4-yl)-methylamino]-2-methoxyphenyl]-N-hydroxyprop-2-enamide

3-[5-[(2-cyanoquinolin-4-yl)-methylamino]-2-methoxyphenyl]-N-hydroxyprop-2-enamide (PubChem CID 175964387) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 3-[5-[(2-cyanoquinolin-4-yl)-methylamino]-2-methoxyphenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name3-[5-[(2-cyanoquinolin-4-yl)-methylamino]-2-methoxyphenyl]-N-hydroxyprop-2-enamide
PubChem CID175964387
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name3-[5-[(2-cyanoquinolin-4-yl)-methylamino]-2-methoxyphenyl]-N-hydroxyprop-2-enamide
SMILESCOc1ccc(N(C)c2cc(C#N)nc3ccccc23)cc1C=CC(=O)NO
InChIInChI=1S/C21H18N4O3/c1-25(19-12-15(13-22)23-18-6-4-3-5-17(18)19)16-8-9-20(28-2)14(11-16)7-10-21(26)24-27/h3-12,27H,1-2H3,(H,24,26)
InChIKeyQHXOKFICRLZQNX-UHFFFAOYSA-N
XLogP3.40
TPSA98.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[3-[(E)-5-(hydroxyamino)pent-1-enyl]-4-methoxy-N-methylanilino]quinoline-2-carbonitrile
CID 162786420
5-[5-[(2-cyanoquinolin-4-yl)-methylamino]-2-methoxyphenyl]-N-hydroxypent-4-ynamide
CID 146469220
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
(E)-3-[2-(4-fluorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide
CID 71621223
(E)-3-[5-[2-cyano-3-oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]-2-methoxyphenyl]-N-hydroxyprop-2-enamide
CID 175692574
N-hydroxy-3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 175984016
(E)-3-[2-(3-chlorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide
CID 71621224
3-(5-bromo-2-methoxyphenyl)-N-phenylprop-2-enamide
CID 4989613
(E)-N-hydroxy-3-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 130205516
(E)-3-[2-(3-chlorophenoxy)-5-[methyl(pyridin-2-yl)amino]phenyl]-N-hydroxyprop-2-enamide
CID 71621225
(E)-3-(5-chloro-2-methoxyphenyl)-N-[(4-cyanophenyl)methyl]prop-2-enamide
CID 60531459
N-benzyl-3-(2-methoxyphenyl)prop-2-enamide
CID 2927846

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2-cyanoquinolin-4-yl)-methylamino]-2-methoxyphenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of 3-[5-[(2-cyanoquinolin-4-yl)-methylamino]-2-methoxyphenyl]-N-hydroxyprop-2-enamide (CID 175964387) is 3-[5-[(2-cyanoquinolin-4-yl)-methylamino]-2-methoxyphenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for 3-[5-[(2-cyanoquinolin-4-yl)-methylamino]-2-methoxyphenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for 3-[5-[(2-cyanoquinolin-4-yl)-methylamino]-2-methoxyphenyl]-N-hydroxyprop-2-enamide is COc1ccc(N(C)c2cc(C#N)nc3ccccc23)cc1C=CC(=O)NO.
What is the InChIKey of 3-[5-[(2-cyanoquinolin-4-yl)-methylamino]-2-methoxyphenyl]-N-hydroxyprop-2-enamide?
The InChIKey is QHXOKFICRLZQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-25(19-12-15(13-22)23-18-6-4-3-5-17(18)19)16-8-9-20(28-2)14(11-16)7-10-21(26)24-27/h3-12,27H,1-2H3,(H,24,26).
What are the key properties of 3-[5-[(2-cyanoquinolin-4-yl)-methylamino]-2-methoxyphenyl]-N-hydroxyprop-2-enamide?
3-[5-[(2-cyanoquinolin-4-yl)-methylamino]-2-methoxyphenyl]-N-hydroxyprop-2-enamide has a molecular weight of 374.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2-cyanoquinolin-4-yl)-methylamino]-2-methoxyphenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 175964387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).