2-amino-N-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethyl]acetamide

C13H13ClN4O2 — CID 60928298

IUPAC2-amino-N-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)Nc1ccc(Cl)c2cccnc12
InChIInChI=1S/C13H13ClN4O2/c14-9-3-4-10(13-8(9)2-1-5-16-13)18-12(20)7-17-11(19)6-15/h1-5H,6-7,15H2,(H,17,19)(H,18,20)
InChIKeyOQWUJYPAAYQJFK-UHFFFAOYSA-N
MW292.73 g/mol
LogP0.90
Rot. Bonds4

About 2-amino-N-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethyl]acetamide

2-amino-N-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethyl]acetamide (PubChem CID 60928298) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 2-amino-N-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethyl]acetamide
PubChem CID60928298
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name2-amino-N-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)Nc1ccc(Cl)c2cccnc12
InChIInChI=1S/C13H13ClN4O2/c14-9-3-4-10(13-8(9)2-1-5-16-13)18-12(20)7-17-11(19)6-15/h1-5H,6-7,15H2,(H,17,19)(H,18,20)
InChIKeyOQWUJYPAAYQJFK-UHFFFAOYSA-N
XLogP0.90
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethoxy]acetic acid
CID 61328615
3-chloro-N-[(5-chloroquinolin-8-yl)carbamoyl]propanamide
CID 116785166
2-[(5-chloroquinolin-8-yl)amino]acetic acid
CID 116783965
2-(2-amino-1,3-thiazol-4-yl)-N-(5-chloroquinolin-8-yl)acetamide
CID 62798549
3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide
CID 63680758
1-butyl-3-(5-chloroquinolin-8-yl)urea
CID 47201926
benzyl N-(5-chloroquinolin-8-yl)carbamate
CID 130156860
3-amino-N-(5-chloroquinolin-8-yl)-2,2,3-trimethylbutanamide
CID 65269986
2-amino-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]acetamide
CID 115597399
2-amino-N-(5-chloroquinolin-8-yl)-3-methylpentanamide
CID 60928670
3-chloro-N-(5-chloroquinolin-8-yl)pyridine-4-carboxamide
CID 66464804
6-chloro-N-(5-chloroquinolin-8-yl)pyridazine-3-carboxamide
CID 61041185

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethyl]acetamide (CID 60928298) is 2-amino-N-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethyl]acetamide is NCC(=O)NCC(=O)Nc1ccc(Cl)c2cccnc12.
What is the InChIKey of 2-amino-N-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethyl]acetamide?
The InChIKey is OQWUJYPAAYQJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c14-9-3-4-10(13-8(9)2-1-5-16-13)18-12(20)7-17-11(19)6-15/h1-5H,6-7,15H2,(H,17,19)(H,18,20).
What are the key properties of 2-amino-N-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethyl]acetamide?
2-amino-N-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethyl]acetamide has a molecular weight of 292.73 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 60928298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).