2-[(2-methyloxolan-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C15H19N3O — CID 82728584

IUPAC2-[(2-methyloxolan-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCC1OCCC1Nc1nc2c(cc1C#N)CCCC2
InChIInChI=1S/C15H19N3O/c1-10-13(6-7-19-10)17-15-12(9-16)8-11-4-2-3-5-14(11)18-15/h8,10,13H,2-7H2,1H3,(H,17,18)
InChIKeyKWEHAPDRWIUABI-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.42
Rot. Bonds2

About 2-[(2-methyloxolan-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-[(2-methyloxolan-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 82728584) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[(2-methyloxolan-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[(2-methyloxolan-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID82728584
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[(2-methyloxolan-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCC1OCCC1Nc1nc2c(cc1C#N)CCCC2
InChIInChI=1S/C15H19N3O/c1-10-13(6-7-19-10)17-15-12(9-16)8-11-4-2-3-5-14(11)18-15/h8,10,13H,2-7H2,1H3,(H,17,18)
InChIKeyKWEHAPDRWIUABI-UHFFFAOYSA-N
XLogP2.42
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyloxolan-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-[(2-methyloxolan-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 82728584) is 2-[(2-methyloxolan-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-[(2-methyloxolan-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-[(2-methyloxolan-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is CC1OCCC1Nc1nc2c(cc1C#N)CCCC2.
What is the InChIKey of 2-[(2-methyloxolan-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is KWEHAPDRWIUABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-13(6-7-19-10)17-15-12(9-16)8-11-4-2-3-5-14(11)18-15/h8,10,13H,2-7H2,1H3,(H,17,18).
What are the key properties of 2-[(2-methyloxolan-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-[(2-methyloxolan-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 257.34 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyloxolan-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 82728584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).