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

C21H18N4O3 — CID 146469200

IUPAC(E)-3-[5-[(2-cyanoquinolin-4-yl)-methylamino]-2-methoxyphenyl]-N-hydroxyprop-2-enamide
SMILESCOc1ccc(N(C)c2cc(C#N)nc3ccccc23)cc1/C=C/C(=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)/b10-7+
InChIKeyQHXOKFICRLZQNX-JXMROGBWSA-N
MW374.40 g/mol
LogP3.40
Rot. Bonds5

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

(E)-3-[5-[(2-cyanoquinolin-4-yl)-methylamino]-2-methoxyphenyl]-N-hydroxyprop-2-enamide (PubChem CID 146469200) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is (E)-3-[5-[(2-cyanoquinolin-4-yl)-methylamino]-2-methoxyphenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-[(2-cyanoquinolin-4-yl)-methylamino]-2-methoxyphenyl]-N-hydroxyprop-2-enamide
PubChem CID146469200
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name(E)-3-[5-[(2-cyanoquinolin-4-yl)-methylamino]-2-methoxyphenyl]-N-hydroxyprop-2-enamide
SMILESCOc1ccc(N(C)c2cc(C#N)nc3ccccc23)cc1/C=C/C(=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)/b10-7+
InChIKeyQHXOKFICRLZQNX-JXMROGBWSA-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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Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-[(2-cyanoquinolin-4-yl)-methylamino]-2-methoxyphenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[5-[(2-cyanoquinolin-4-yl)-methylamino]-2-methoxyphenyl]-N-hydroxyprop-2-enamide (CID 146469200) is (E)-3-[5-[(2-cyanoquinolin-4-yl)-methylamino]-2-methoxyphenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[5-[(2-cyanoquinolin-4-yl)-methylamino]-2-methoxyphenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[5-[(2-cyanoquinolin-4-yl)-methylamino]-2-methoxyphenyl]-N-hydroxyprop-2-enamide is COc1ccc(N(C)c2cc(C#N)nc3ccccc23)cc1/C=C/C(=O)NO.
What is the InChIKey of (E)-3-[5-[(2-cyanoquinolin-4-yl)-methylamino]-2-methoxyphenyl]-N-hydroxyprop-2-enamide?
The InChIKey is QHXOKFICRLZQNX-JXMROGBWSA-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)/b10-7+.
What are the key properties of (E)-3-[5-[(2-cyanoquinolin-4-yl)-methylamino]-2-methoxyphenyl]-N-hydroxyprop-2-enamide?
(E)-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 (E)-3-[5-[(2-cyanoquinolin-4-yl)-methylamino]-2-methoxyphenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 146469200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).