2-[4-(5-oxopyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C20H25N5O2 — CID 138385420

IUPAC2-[4-(5-oxopyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cc2c(nc1N1CCCN(C(=O)C3CCC(=O)N3)CC1)CCCC2
InChIInChI=1S/C20H25N5O2/c21-13-15-12-14-4-1-2-5-16(14)23-19(15)24-8-3-9-25(11-10-24)20(27)17-6-7-18(26)22-17/h12,17H,1-11H2,(H,22,26)
InChIKeyRGNKNTGRCPZGSQ-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.15
Rot. Bonds2

About 2-[4-(5-oxopyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-[4-(5-oxopyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 138385420) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[4-(5-oxopyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(5-oxopyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID138385420
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name2-[4-(5-oxopyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cc2c(nc1N1CCCN(C(=O)C3CCC(=O)N3)CC1)CCCC2
InChIInChI=1S/C20H25N5O2/c21-13-15-12-14-4-1-2-5-16(14)23-19(15)24-8-3-9-25(11-10-24)20(27)17-6-7-18(26)22-17/h12,17H,1-11H2,(H,22,26)
InChIKeyRGNKNTGRCPZGSQ-UHFFFAOYSA-N
XLogP1.15
TPSA89.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(5-oxopyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 70727057
2-[4-(2-pyridin-3-ylacetyl)-1,4-diazepan-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 138382462
2-(4-methylazepan-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63627036
2-(3-hydroxypiperidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 54940480
2-(4-methyl-3-oxopiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 64681398
1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)pyrrolidine-3-carboxamide
CID 103878001
2-(4-methyl-3-oxo-1,4-diazepan-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 102846633
2-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 172893178
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 115559868
2-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 126863059
(5R)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 45116190
2-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide
CID 175648562

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-oxopyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-[4-(5-oxopyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 138385420) is 2-[4-(5-oxopyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-[4-(5-oxopyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-[4-(5-oxopyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is N#Cc1cc2c(nc1N1CCCN(C(=O)C3CCC(=O)N3)CC1)CCCC2.
What is the InChIKey of 2-[4-(5-oxopyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is RGNKNTGRCPZGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c21-13-15-12-14-4-1-2-5-16(14)23-19(15)24-8-3-9-25(11-10-24)20(27)17-6-7-18(26)22-17/h12,17H,1-11H2,(H,22,26).
What are the key properties of 2-[4-(5-oxopyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-[4-(5-oxopyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 367.45 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-oxopyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 138385420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).