3-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile

C16H19N3O — CID 59393114

IUPAC3-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile
SMILESCCc1cc2ccc(C(C)(C#N)CN)cc2nc1OC
InChIInChI=1S/C16H19N3O/c1-4-11-7-12-5-6-13(16(2,9-17)10-18)8-14(12)19-15(11)20-3/h5-8H,4,9,17H2,1-3H3
InChIKeyQTIUAJMPDFGTHN-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.55
Rot. Bonds4

About 3-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile

3-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile (PubChem CID 59393114) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name3-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile
PubChem CID59393114
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile
SMILESCCc1cc2ccc(C(C)(C#N)CN)cc2nc1OC
InChIInChI=1S/C16H19N3O/c1-4-11-7-12-5-6-13(16(2,9-17)10-18)8-14(12)19-15(11)20-3/h5-8H,4,9,17H2,1-3H3
InChIKeyQTIUAJMPDFGTHN-UHFFFAOYSA-N
XLogP2.55
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile
CID 59393221
3-(1,3-dioxoisoindol-2-yl)-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile
CID 59393229
2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(3-hydroxyphenyl)-2-methylpropanenitrile
CID 59392990
(5Z,7E)-2-(3-ethyl-2-methoxyquinolin-7-yl)-8-iodo-2-methyl-4-methylidenenona-5,7-dienenitrile
CID 145469826
2-(3-ethyl-2-methoxyquinolin-7-yl)acetonitrile;methane
CID 164511422
5-[2-cyano-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2-(3-morpholin-4-ylpropoxy)benzonitrile
CID 59393342
7-[2-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2,3-dihydro-1-benzofuran-5-carbonitrile
CID 70291438
(3-ethyl-2-methoxyquinolin-7-yl)boronic acid
CID 59474872
3-[4,6-bis(dimethylamino)pyrimidin-2-yl]-2-(3-ethyl-2-phosphanylquinolin-7-yl)-2-methylpropanenitrile
CID 70290227
(1R)-1-[(7R)-4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-1-(3-ethyl-2-methoxyquinolin-7-yl)ethanamine
CID 70289156
cyclopropyl-(3-ethyl-2-methoxyquinolin-7-yl)methanone
CID 59393071
2-(3-ethyl-6-fluoro-2-methoxyquinolin-7-yl)propanenitrile
CID 59393260

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile?
The IUPAC name of 3-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile (CID 59393114) is 3-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile.
What is the SMILES notation for 3-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile?
The canonical SMILES for 3-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile is CCc1cc2ccc(C(C)(C#N)CN)cc2nc1OC.
What is the InChIKey of 3-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile?
The InChIKey is QTIUAJMPDFGTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-4-11-7-12-5-6-13(16(2,9-17)10-18)8-14(12)19-15(11)20-3/h5-8H,4,9,17H2,1-3H3.
What are the key properties of 3-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile?
3-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile has a molecular weight of 269.35 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile is sourced from PubChem (CID 59393114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).