3-amino-N-(8-chloroquinolin-5-yl)-2-methoxypropanamide

C13H14ClN3O2 — CID 106111764

IUPAC3-amino-N-(8-chloroquinolin-5-yl)-2-methoxypropanamide
SMILESCOC(CN)C(=O)Nc1ccc(Cl)c2ncccc12
InChIInChI=1S/C13H14ClN3O2/c1-19-11(7-15)13(18)17-10-5-4-9(14)12-8(10)3-2-6-16-12/h2-6,11H,7,15H2,1H3,(H,17,18)
InChIKeyXJRIZWKVOHUFHB-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.80
Rot. Bonds4

About 3-amino-N-(8-chloroquinolin-5-yl)-2-methoxypropanamide

3-amino-N-(8-chloroquinolin-5-yl)-2-methoxypropanamide (PubChem CID 106111764) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 3-amino-N-(8-chloroquinolin-5-yl)-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-(8-chloroquinolin-5-yl)-2-methoxypropanamide
PubChem CID106111764
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name3-amino-N-(8-chloroquinolin-5-yl)-2-methoxypropanamide
SMILESCOC(CN)C(=O)Nc1ccc(Cl)c2ncccc12
InChIInChI=1S/C13H14ClN3O2/c1-19-11(7-15)13(18)17-10-5-4-9(14)12-8(10)3-2-6-16-12/h2-6,11H,7,15H2,1H3,(H,17,18)
InChIKeyXJRIZWKVOHUFHB-UHFFFAOYSA-N
XLogP1.80
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(8-chloroquinolin-5-yl)propanamide
CID 107903962
2-amino-N-(8-chloroquinolin-5-yl)-5-methoxypentanamide
CID 81071022
dimethyl (E)-2-[(8-chloroquinolin-5-yl)amino]but-2-enedioate
CID 168570415
3-amino-2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 106111464
N-(8-chloroquinolin-5-yl)-3-(ethylamino)propanamide
CID 55121574
N-(8-chloroquinolin-5-yl)-3-(ethylamino)butanamide
CID 62837224
2-amino-N-(5-chloroquinolin-8-yl)-3-methylpentanamide
CID 60928670
2-[1-(aminomethyl)cyclobutyl]-N-(8-chloroquinolin-5-yl)acetamide
CID 81172078
3-amino-N-(5-chloro-2-methylphenyl)-2-methoxypropanamide
CID 106111180
N-(8-chloroquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide
CID 103732428
6-[(8-chloroquinolin-5-yl)amino]-6-oxohexanoic acid
CID 60941268
2-ethyl-N-(8-methoxyquinolin-5-yl)butanamide
CID 26823136

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(8-chloroquinolin-5-yl)-2-methoxypropanamide?
The IUPAC name of 3-amino-N-(8-chloroquinolin-5-yl)-2-methoxypropanamide (CID 106111764) is 3-amino-N-(8-chloroquinolin-5-yl)-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-(8-chloroquinolin-5-yl)-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-(8-chloroquinolin-5-yl)-2-methoxypropanamide is COC(CN)C(=O)Nc1ccc(Cl)c2ncccc12.
What is the InChIKey of 3-amino-N-(8-chloroquinolin-5-yl)-2-methoxypropanamide?
The InChIKey is XJRIZWKVOHUFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-19-11(7-15)13(18)17-10-5-4-9(14)12-8(10)3-2-6-16-12/h2-6,11H,7,15H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-(8-chloroquinolin-5-yl)-2-methoxypropanamide?
3-amino-N-(8-chloroquinolin-5-yl)-2-methoxypropanamide has a molecular weight of 279.73 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(8-chloroquinolin-5-yl)-2-methoxypropanamide is sourced from PubChem (CID 106111764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).