2-[2-[cyclopropyl(methyl)amino]ethoxy]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C16H21N3O — CID 102740068

IUPAC2-[2-[cyclopropyl(methyl)amino]ethoxy]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCN(CCOc1nc2c(cc1C#N)CCCC2)C1CC1
InChIInChI=1S/C16H21N3O/c1-19(14-6-7-14)8-9-20-16-13(11-17)10-12-4-2-3-5-15(12)18-16/h10,14H,2-9H2,1H3
InChIKeySKQOHFRTMOGGMB-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.31
Rot. Bonds5

About 2-[2-[cyclopropyl(methyl)amino]ethoxy]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-[2-[cyclopropyl(methyl)amino]ethoxy]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 102740068) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(methyl)amino]ethoxy]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[2-[cyclopropyl(methyl)amino]ethoxy]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID102740068
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[2-[cyclopropyl(methyl)amino]ethoxy]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCN(CCOc1nc2c(cc1C#N)CCCC2)C1CC1
InChIInChI=1S/C16H21N3O/c1-19(14-6-7-14)8-9-20-16-13(11-17)10-12-4-2-3-5-15(12)18-16/h10,14H,2-9H2,1H3
InChIKeySKQOHFRTMOGGMB-UHFFFAOYSA-N
XLogP2.31
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 62347989
2-[2-[cyclopropyl(methyl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile
CID 102740058
3-[2-[cyclopropyl(methyl)amino]ethoxy]pyrazine-2-carbonitrile
CID 102740080
2-(2-piperidin-3-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 62355816
2-[cyclopentyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 54940936
2-prop-2-ynoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 55207841
2-(4-methylcyclohexyl)oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63510855
2-[(4-aminocyclohexyl)-methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 79113654
2-[cyclopentylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63656342
2-[(1-methylsulfonylpyrrolidin-3-yl)methoxy]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 167988163
2-(3-aminocyclopentyl)oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 79464991
2-(3,4-dimethylcyclohexyl)oxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 64746934

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(methyl)amino]ethoxy]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-[2-[cyclopropyl(methyl)amino]ethoxy]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 102740068) is 2-[2-[cyclopropyl(methyl)amino]ethoxy]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-[2-[cyclopropyl(methyl)amino]ethoxy]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-[2-[cyclopropyl(methyl)amino]ethoxy]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is CN(CCOc1nc2c(cc1C#N)CCCC2)C1CC1.
What is the InChIKey of 2-[2-[cyclopropyl(methyl)amino]ethoxy]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is SKQOHFRTMOGGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19(14-6-7-14)8-9-20-16-13(11-17)10-12-4-2-3-5-15(12)18-16/h10,14H,2-9H2,1H3.
What are the key properties of 2-[2-[cyclopropyl(methyl)amino]ethoxy]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-[2-[cyclopropyl(methyl)amino]ethoxy]-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 271.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(methyl)amino]ethoxy]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 102740068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).