2-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C19H26N4O — CID 56899957

IUPAC2-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCC(C)(C)CN1CC(Nc2nc3c(cc2C#N)CCCC3)CC1=O
InChIInChI=1S/C19H26N4O/c1-19(2,3)12-23-11-15(9-17(23)24)21-18-14(10-20)8-13-6-4-5-7-16(13)22-18/h8,15H,4-7,9,11-12H2,1-3H3,(H,21,22)
InChIKeyWWVQJLNUOAQAMJ-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.89
Rot. Bonds3

About 2-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 56899957) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID56899957
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCC(C)(C)CN1CC(Nc2nc3c(cc2C#N)CCCC3)CC1=O
InChIInChI=1S/C19H26N4O/c1-19(2,3)12-23-11-15(9-17(23)24)21-18-14(10-20)8-13-6-4-5-7-16(13)22-18/h8,15H,4-7,9,11-12H2,1-3H3,(H,21,22)
InChIKeyWWVQJLNUOAQAMJ-UHFFFAOYSA-N
XLogP2.89
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 56899957) is 2-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is CC(C)(C)CN1CC(Nc2nc3c(cc2C#N)CCCC3)CC1=O.
What is the InChIKey of 2-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is WWVQJLNUOAQAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-19(2,3)12-23-11-15(9-17(23)24)21-18-14(10-20)8-13-6-4-5-7-16(13)22-18/h8,15H,4-7,9,11-12H2,1-3H3,(H,21,22).
What are the key properties of 2-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 326.44 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 56899957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).