3-[[(2-cyanoquinolin-4-yl)amino]methyl]-N-ethylbenzamide

C20H18N4O — CID 133317053

IUPAC3-[[(2-cyanoquinolin-4-yl)amino]methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(CNc2cc(C#N)nc3ccccc23)c1
InChIInChI=1S/C20H18N4O/c1-2-22-20(25)15-7-5-6-14(10-15)13-23-19-11-16(12-21)24-18-9-4-3-8-17(18)19/h3-11H,2,13H2,1H3,(H,22,25)(H,23,24)
InChIKeyPFQQSTUFSWJXQG-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.47
Rot. Bonds5

About 3-[[(2-cyanoquinolin-4-yl)amino]methyl]-N-ethylbenzamide

3-[[(2-cyanoquinolin-4-yl)amino]methyl]-N-ethylbenzamide (PubChem CID 133317053) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-[[(2-cyanoquinolin-4-yl)amino]methyl]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[(2-cyanoquinolin-4-yl)amino]methyl]-N-ethylbenzamide
PubChem CID133317053
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name3-[[(2-cyanoquinolin-4-yl)amino]methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(CNc2cc(C#N)nc3ccccc23)c1
InChIInChI=1S/C20H18N4O/c1-2-22-20(25)15-7-5-6-14(10-15)13-23-19-11-16(12-21)24-18-9-4-3-8-17(18)19/h3-11H,2,13H2,1H3,(H,22,25)(H,23,24)
InChIKeyPFQQSTUFSWJXQG-UHFFFAOYSA-N
XLogP3.47
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]furan-2-carboxamide
CID 133310527
N-[2-[(2-cyanoquinolin-4-yl)amino]ethyl]-3-fluoro-4-methylbenzamide
CID 133329971
4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-2-carbonitrile
CID 133316749
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
4-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]quinoline-2-carbonitrile
CID 133318713
3-[(2-cyanoquinolin-4-yl)amino]-2,2-dimethylpropanamide
CID 133318102
3-[[(N-benzyl-N'-methylcarbamimidoyl)amino]methyl]-N-ethylbenzamide
CID 110953022
3-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]benzoic acid
CID 107542874
3-[[3-(1,3-benzothiazol-2-yl)prop-2-enoylamino]methyl]-N-ethylbenzamide
CID 76868037
N-ethyl-3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzamide
CID 133317052
N-ethyl-3-[[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]methyl]benzamide
CID 55724396
4-[[(2-cyanoquinolin-4-yl)amino]methyl]-N-cyclopropylbenzenesulfonamide
CID 133317644

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-cyanoquinolin-4-yl)amino]methyl]-N-ethylbenzamide?
The IUPAC name of 3-[[(2-cyanoquinolin-4-yl)amino]methyl]-N-ethylbenzamide (CID 133317053) is 3-[[(2-cyanoquinolin-4-yl)amino]methyl]-N-ethylbenzamide.
What is the SMILES notation for 3-[[(2-cyanoquinolin-4-yl)amino]methyl]-N-ethylbenzamide?
The canonical SMILES for 3-[[(2-cyanoquinolin-4-yl)amino]methyl]-N-ethylbenzamide is CCNC(=O)c1cccc(CNc2cc(C#N)nc3ccccc23)c1.
What is the InChIKey of 3-[[(2-cyanoquinolin-4-yl)amino]methyl]-N-ethylbenzamide?
The InChIKey is PFQQSTUFSWJXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-2-22-20(25)15-7-5-6-14(10-15)13-23-19-11-16(12-21)24-18-9-4-3-8-17(18)19/h3-11H,2,13H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 3-[[(2-cyanoquinolin-4-yl)amino]methyl]-N-ethylbenzamide?
3-[[(2-cyanoquinolin-4-yl)amino]methyl]-N-ethylbenzamide has a molecular weight of 330.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-cyanoquinolin-4-yl)amino]methyl]-N-ethylbenzamide is sourced from PubChem (CID 133317053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).