3-[(2-amino-7-methoxyquinolin-3-yl)methyl-ethylamino]propanenitrile

C16H20N4O — CID 62208226

IUPAC3-[(2-amino-7-methoxyquinolin-3-yl)methyl-ethylamino]propanenitrile
SMILESCCN(CCC#N)Cc1cc2ccc(OC)cc2nc1N
InChIInChI=1S/C16H20N4O/c1-3-20(8-4-7-17)11-13-9-12-5-6-14(21-2)10-15(12)19-16(13)18/h5-6,9-10H,3-4,8,11H2,1-2H3,(H2,18,19)
InChIKeyCOUQXDMLKIPSQN-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.56
Rot. Bonds6

About 3-[(2-amino-7-methoxyquinolin-3-yl)methyl-ethylamino]propanenitrile

3-[(2-amino-7-methoxyquinolin-3-yl)methyl-ethylamino]propanenitrile (PubChem CID 62208226) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[(2-amino-7-methoxyquinolin-3-yl)methyl-ethylamino]propanenitrile.

Molecular Properties

Compound Name3-[(2-amino-7-methoxyquinolin-3-yl)methyl-ethylamino]propanenitrile
PubChem CID62208226
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-[(2-amino-7-methoxyquinolin-3-yl)methyl-ethylamino]propanenitrile
SMILESCCN(CCC#N)Cc1cc2ccc(OC)cc2nc1N
InChIInChI=1S/C16H20N4O/c1-3-20(8-4-7-17)11-13-9-12-5-6-14(21-2)10-15(12)19-16(13)18/h5-6,9-10H,3-4,8,11H2,1-2H3,(H2,18,19)
InChIKeyCOUQXDMLKIPSQN-UHFFFAOYSA-N
XLogP2.56
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[ethyl(2-methoxyethyl)amino]methyl]-7-methoxyquinolin-2-amine
CID 62208238
N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethylpropan-1-amine
CID 60921581
(2-amino-7-methoxyquinolin-3-yl)methanol
CID 62194670
N-ethyl-N-[(2-hydrazinyl-7-methoxyquinolin-3-yl)methyl]ethanamine
CID 62244421
3-(butoxymethyl)-7-methoxyquinolin-2-amine
CID 55044888
3-bromo-7-methoxyquinolin-2-amine
CID 126637777
3-[(5-amino-2-ethoxyphenyl)methyl-ethylamino]propanenitrile
CID 54988248
3-[2-(diethylaminomethyl)-5-methoxybenzimidazol-1-yl]propanenitrile
CID 82311542
7-methoxy-3-(2-methylpentoxymethyl)quinolin-2-amine
CID 103285328
3-[amino-(5-methoxy-1,3-benzoxazol-2-yl)amino]propanenitrile
CID 13373812
7-methoxy-3-(3-methylbutylsulfanylmethyl)quinolin-2-amine
CID 107756672
3-[ethyl-[(2-methoxy-5-nitrophenyl)methyl]amino]propanenitrile
CID 54992822

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-7-methoxyquinolin-3-yl)methyl-ethylamino]propanenitrile?
The IUPAC name of 3-[(2-amino-7-methoxyquinolin-3-yl)methyl-ethylamino]propanenitrile (CID 62208226) is 3-[(2-amino-7-methoxyquinolin-3-yl)methyl-ethylamino]propanenitrile.
What is the SMILES notation for 3-[(2-amino-7-methoxyquinolin-3-yl)methyl-ethylamino]propanenitrile?
The canonical SMILES for 3-[(2-amino-7-methoxyquinolin-3-yl)methyl-ethylamino]propanenitrile is CCN(CCC#N)Cc1cc2ccc(OC)cc2nc1N.
What is the InChIKey of 3-[(2-amino-7-methoxyquinolin-3-yl)methyl-ethylamino]propanenitrile?
The InChIKey is COUQXDMLKIPSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-20(8-4-7-17)11-13-9-12-5-6-14(21-2)10-15(12)19-16(13)18/h5-6,9-10H,3-4,8,11H2,1-2H3,(H2,18,19).
What are the key properties of 3-[(2-amino-7-methoxyquinolin-3-yl)methyl-ethylamino]propanenitrile?
3-[(2-amino-7-methoxyquinolin-3-yl)methyl-ethylamino]propanenitrile has a molecular weight of 284.36 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-7-methoxyquinolin-3-yl)methyl-ethylamino]propanenitrile is sourced from PubChem (CID 62208226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).