4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide

C22H29N5O4 — CID 55968218

IUPAC4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide
SMILESO=C(CCCOc1ccc2c(c1)CCC(=O)N2)NCCCn1nc2n(c1=O)CCCC2
InChIInChI=1S/C22H29N5O4/c28-20(23-11-4-13-27-22(30)26-12-2-1-5-19(26)25-27)6-3-14-31-17-8-9-18-16(15-17)7-10-21(29)24-18/h8-9,15H,1-7,10-14H2,(H,23,28)(H,24,29)
InChIKeyVBYAARWTYBZOFW-UHFFFAOYSA-N
MW427.51 g/mol
LogP1.63
Rot. Bonds9

About 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide

4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide (PubChem CID 55968218) has the molecular formula C22H29N5O4 and a molecular weight of 427.51 g/mol. Its IUPAC name is 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide.

Molecular Properties

Compound Name4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide
PubChem CID55968218
Molecular FormulaC22H29N5O4
Molecular Weight427.51 g/mol
Exact Mass427.22
IUPAC Name4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide
SMILESO=C(CCCOc1ccc2c(c1)CCC(=O)N2)NCCCn1nc2n(c1=O)CCCC2
InChIInChI=1S/C22H29N5O4/c28-20(23-11-4-13-27-22(30)26-12-2-1-5-19(26)25-27)6-3-14-31-17-8-9-18-16(15-17)7-10-21(29)24-18/h8-9,15H,1-7,10-14H2,(H,23,28)(H,24,29)
InChIKeyVBYAARWTYBZOFW-UHFFFAOYSA-N
XLogP1.63
TPSA107.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide with MolForge

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Launch Full Analysis

Related Compounds

N-(3-imidazol-1-ylpropyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 78852316
4-(2-fluorophenoxy)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide
CID 55960145
N-[2-(methylamino)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride
CID 119501892
3-(4-methoxyphenyl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide
CID 55766711
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55971867
N-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 86580849
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
3-(4-methylphenyl)sulfonyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide
CID 55967955
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119512002
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55781156
6-[4-oxo-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 55595558
N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 78892163

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide?
The IUPAC name of 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide (CID 55968218) is 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide.
What is the SMILES notation for 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide?
The canonical SMILES for 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide is O=C(CCCOc1ccc2c(c1)CCC(=O)N2)NCCCn1nc2n(c1=O)CCCC2.
What is the InChIKey of 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide?
The InChIKey is VBYAARWTYBZOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O4/c28-20(23-11-4-13-27-22(30)26-12-2-1-5-19(26)25-27)6-3-14-31-17-8-9-18-16(15-17)7-10-21(29)24-18/h8-9,15H,1-7,10-14H2,(H,23,28)(H,24,29).
What are the key properties of 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide?
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide has a molecular weight of 427.51 g/mol, XLogP of 1.63, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide is sourced from PubChem (CID 55968218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).