2-[[1-[2-(5-oxo-1,4-diazepan-1-yl)ethyl]pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

C20H31N5O2 — CID 126924945

IUPAC2-[[1-[2-(5-oxo-1,4-diazepan-1-yl)ethyl]pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=C1CCN(CCN2CCCC2Cn2nc3c(cc2=O)CCCC3)CCN1
InChIInChI=1S/C20H31N5O2/c26-19-7-10-23(11-8-21-19)12-13-24-9-3-5-17(24)15-25-20(27)14-16-4-1-2-6-18(16)22-25/h14,17H,1-13,15H2,(H,21,26)
InChIKeyHKFLTPDUPRRWEQ-UHFFFAOYSA-N
MW373.50 g/mol
LogP0.41
Rot. Bonds5

About 2-[[1-[2-(5-oxo-1,4-diazepan-1-yl)ethyl]pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[[1-[2-(5-oxo-1,4-diazepan-1-yl)ethyl]pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126924945) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-[[1-[2-(5-oxo-1,4-diazepan-1-yl)ethyl]pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[[1-[2-(5-oxo-1,4-diazepan-1-yl)ethyl]pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126924945
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name2-[[1-[2-(5-oxo-1,4-diazepan-1-yl)ethyl]pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=C1CCN(CCN2CCCC2Cn2nc3c(cc2=O)CCCC3)CCN1
InChIInChI=1S/C20H31N5O2/c26-19-7-10-23(11-8-21-19)12-13-24-9-3-5-17(24)15-25-20(27)14-16-4-1-2-6-18(16)22-25/h14,17H,1-13,15H2,(H,21,26)
InChIKeyHKFLTPDUPRRWEQ-UHFFFAOYSA-N
XLogP0.41
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-[2-(5-oxo-1,4-diazepan-1-yl)ethyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862990
2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924917
2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126925008
2-[[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126925013
2-[[1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924526
2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924590
2-[[1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126925045
2-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924363
2-[[1-(1,3-oxazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924840
2-[[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126925034
2-[[1-[(1-hydroxycyclopentyl)methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924586
2-[[1-[(1-hydroxycyclobutyl)methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924587

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(5-oxo-1,4-diazepan-1-yl)ethyl]pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[[1-[2-(5-oxo-1,4-diazepan-1-yl)ethyl]pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126924945) is 2-[[1-[2-(5-oxo-1,4-diazepan-1-yl)ethyl]pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[[1-[2-(5-oxo-1,4-diazepan-1-yl)ethyl]pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[[1-[2-(5-oxo-1,4-diazepan-1-yl)ethyl]pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is O=C1CCN(CCN2CCCC2Cn2nc3c(cc2=O)CCCC3)CCN1.
What is the InChIKey of 2-[[1-[2-(5-oxo-1,4-diazepan-1-yl)ethyl]pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is HKFLTPDUPRRWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c26-19-7-10-23(11-8-21-19)12-13-24-9-3-5-17(24)15-25-20(27)14-16-4-1-2-6-18(16)22-25/h14,17H,1-13,15H2,(H,21,26).
What are the key properties of 2-[[1-[2-(5-oxo-1,4-diazepan-1-yl)ethyl]pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[[1-[2-(5-oxo-1,4-diazepan-1-yl)ethyl]pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 373.50 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(5-oxo-1,4-diazepan-1-yl)ethyl]pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126924945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).