4-[[(3-cyano-7-methylquinolin-4-yl)amino]methyl]-N-hydroxybenzamide

C19H16N4O2 — CID 167598715

IUPAC4-[[(3-cyano-7-methylquinolin-4-yl)amino]methyl]-N-hydroxybenzamide
SMILESCc1ccc2c(NCc3ccc(C(=O)NO)cc3)c(C#N)cnc2c1
InChIInChI=1S/C19H16N4O2/c1-12-2-7-16-17(8-12)21-11-15(9-20)18(16)22-10-13-3-5-14(6-4-13)19(24)23-25/h2-8,11,25H,10H2,1H3,(H,21,22)(H,23,24)
InChIKeyJKVGFETTWKCPHE-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.15
Rot. Bonds4

About 4-[[(3-cyano-7-methylquinolin-4-yl)amino]methyl]-N-hydroxybenzamide

4-[[(3-cyano-7-methylquinolin-4-yl)amino]methyl]-N-hydroxybenzamide (PubChem CID 167598715) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-[[(3-cyano-7-methylquinolin-4-yl)amino]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[(3-cyano-7-methylquinolin-4-yl)amino]methyl]-N-hydroxybenzamide
PubChem CID167598715
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name4-[[(3-cyano-7-methylquinolin-4-yl)amino]methyl]-N-hydroxybenzamide
SMILESCc1ccc2c(NCc3ccc(C(=O)NO)cc3)c(C#N)cnc2c1
InChIInChI=1S/C19H16N4O2/c1-12-2-7-16-17(8-12)21-11-15(9-20)18(16)22-10-13-3-5-14(6-4-13)19(24)23-25/h2-8,11,25H,10H2,1H3,(H,21,22)(H,23,24)
InChIKeyJKVGFETTWKCPHE-UHFFFAOYSA-N
XLogP3.15
TPSA98.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 4-[[(3-cyano-7-methylquinolin-4-yl)amino]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[(3-cyano-7-methylquinolin-4-yl)amino]methyl]-N-hydroxybenzamide (CID 167598715) is 4-[[(3-cyano-7-methylquinolin-4-yl)amino]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[(3-cyano-7-methylquinolin-4-yl)amino]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[(3-cyano-7-methylquinolin-4-yl)amino]methyl]-N-hydroxybenzamide is Cc1ccc2c(NCc3ccc(C(=O)NO)cc3)c(C#N)cnc2c1.
What is the InChIKey of 4-[[(3-cyano-7-methylquinolin-4-yl)amino]methyl]-N-hydroxybenzamide?
The InChIKey is JKVGFETTWKCPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-12-2-7-16-17(8-12)21-11-15(9-20)18(16)22-10-13-3-5-14(6-4-13)19(24)23-25/h2-8,11,25H,10H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 4-[[(3-cyano-7-methylquinolin-4-yl)amino]methyl]-N-hydroxybenzamide?
4-[[(3-cyano-7-methylquinolin-4-yl)amino]methyl]-N-hydroxybenzamide has a molecular weight of 332.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-cyano-7-methylquinolin-4-yl)amino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 167598715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).