5-[4-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

C24H25N5O2 — CID 69454036

IUPAC5-[4-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESO=C1CCCN1CCCNCc1ccc(-c2cc3n[nH]c(=O)n3c3ccccc23)cc1
InChIInChI=1S/C24H25N5O2/c30-23-7-3-13-28(23)14-4-12-25-16-17-8-10-18(11-9-17)20-15-22-26-27-24(31)29(22)21-6-2-1-5-19(20)21/h1-2,5-6,8-11,15,25H,3-4,7,12-14,16H2,(H,27,31)
InChIKeyGKDNDSVMINGWMJ-UHFFFAOYSA-N
MW415.50 g/mol
LogP2.94
Rot. Bonds7

About 5-[4-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

5-[4-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (PubChem CID 69454036) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 5-[4-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.

Molecular Properties

Compound Name5-[4-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
PubChem CID69454036
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name5-[4-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESO=C1CCCN1CCCNCc1ccc(-c2cc3n[nH]c(=O)n3c3ccccc23)cc1
InChIInChI=1S/C24H25N5O2/c30-23-7-3-13-28(23)14-4-12-25-16-17-8-10-18(11-9-17)20-15-22-26-27-24(31)29(22)21-6-2-1-5-19(20)21/h1-2,5-6,8-11,15,25H,3-4,7,12-14,16H2,(H,27,31)
InChIKeyGKDNDSVMINGWMJ-UHFFFAOYSA-N
XLogP2.94
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-7-[4-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 10410379
1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride
CID 17211877
1-[3-(naphthalen-1-ylmethylamino)propyl]pyrrolidin-2-one;hydrochloride
CID 17211895
1-[3-[(4-phenylmethoxyphenyl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17211904
1-[3-[[4-(diethylamino)phenyl]methylamino]propyl]pyrrolidin-2-one
CID 17212169
1-[3-(1H-indol-5-ylmethylamino)propyl]pyrrolidin-2-one
CID 17221800
5-[3-[(dimethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 10245327
1-[3-(furan-3-ylmethylamino)propyl]pyrrolidin-2-one
CID 115606925
1-[3-[(2,4-dichlorophenyl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17211943
2-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]benzoic acid
CID 17212317
1-[3-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one
CID 86808888
8-chloro-2-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]-1H-quinolin-4-one
CID 72915360

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The IUPAC name of 5-[4-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (CID 69454036) is 5-[4-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.
What is the SMILES notation for 5-[4-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The canonical SMILES for 5-[4-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is O=C1CCCN1CCCNCc1ccc(-c2cc3n[nH]c(=O)n3c3ccccc23)cc1.
What is the InChIKey of 5-[4-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The InChIKey is GKDNDSVMINGWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c30-23-7-3-13-28(23)14-4-12-25-16-17-8-10-18(11-9-17)20-15-22-26-27-24(31)29(22)21-6-2-1-5-19(20)21/h1-2,5-6,8-11,15,25H,3-4,7,12-14,16H2,(H,27,31).
What are the key properties of 5-[4-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
5-[4-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one has a molecular weight of 415.50 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is sourced from PubChem (CID 69454036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).