4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-2-carbonitrile

C18H16N4O — CID 133316749

IUPAC4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-2-carbonitrile
SMILESCCOc1cc(CNc2cc(C#N)nc3ccccc23)ccn1
InChIInChI=1S/C18H16N4O/c1-2-23-18-9-13(7-8-20-18)12-21-17-10-14(11-19)22-16-6-4-3-5-15(16)17/h3-10H,2,12H2,1H3,(H,21,22)
InChIKeyXBCOUXLHJQVHJG-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.51
Rot. Bonds5

About 4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-2-carbonitrile

4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-2-carbonitrile (PubChem CID 133316749) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-2-carbonitrile.

Molecular Properties

Compound Name4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-2-carbonitrile
PubChem CID133316749
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-2-carbonitrile
SMILESCCOc1cc(CNc2cc(C#N)nc3ccccc23)ccn1
InChIInChI=1S/C18H16N4O/c1-2-23-18-9-13(7-8-20-18)12-21-17-10-14(11-19)22-16-6-4-3-5-15(16)17/h3-10H,2,12H2,1H3,(H,21,22)
InChIKeyXBCOUXLHJQVHJG-UHFFFAOYSA-N
XLogP3.51
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methylamino]quinoline-2-carbonitrile
CID 133351134
3-[[(2-cyanoquinolin-4-yl)amino]methyl]-N-ethylbenzamide
CID 133317053
4-acetyl-3-[(2-ethoxy-4-pyridinyl)methylamino]benzonitrile
CID 133456188
4-[(2-hydroxy-3-methylpentyl)amino]quinoline-2-carbonitrile
CID 133352700
6-chloro-4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-3-carbonitrile
CID 133316765
4-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]quinoline-2-carbonitrile
CID 133318713
N-[(2-ethoxy-4-pyridinyl)methyl]-2-methyl-8-nitroquinolin-4-amine
CID 133436706
4-[[(2-cyanoquinolin-4-yl)amino]methyl]-N-cyclopropylbenzenesulfonamide
CID 133317644
4-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]quinoline-2-carbonitrile
CID 133318419
N-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 133310371
1-benzyl-3-[(2-ethoxy-4-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 110952173
3-[(2-ethoxy-4-pyridinyl)methylamino]-5,6-diethylpyridazine-4-carbonitrile
CID 133374052

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-2-carbonitrile?
The IUPAC name of 4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-2-carbonitrile (CID 133316749) is 4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-2-carbonitrile.
What is the SMILES notation for 4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-2-carbonitrile?
The canonical SMILES for 4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-2-carbonitrile is CCOc1cc(CNc2cc(C#N)nc3ccccc23)ccn1.
What is the InChIKey of 4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-2-carbonitrile?
The InChIKey is XBCOUXLHJQVHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-2-23-18-9-13(7-8-20-18)12-21-17-10-14(11-19)22-16-6-4-3-5-15(16)17/h3-10H,2,12H2,1H3,(H,21,22).
What are the key properties of 4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-2-carbonitrile?
4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-2-carbonitrile has a molecular weight of 304.35 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-2-carbonitrile is sourced from PubChem (CID 133316749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).