3-(6-methoxyquinolin-2-yl)prop-2-enamide

C13H12N2O2 — CID 175848652

IUPAC3-(6-methoxyquinolin-2-yl)prop-2-enamide
SMILESCOc1ccc2nc(C=CC(N)=O)ccc2c1
InChIInChI=1S/C13H12N2O2/c1-17-11-5-6-12-9(8-11)2-3-10(15-12)4-7-13(14)16/h2-8H,1H3,(H2,14,16)
InChIKeyBYKHJHYLJGUCFO-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.74
Rot. Bonds3

About 3-(6-methoxyquinolin-2-yl)prop-2-enamide

3-(6-methoxyquinolin-2-yl)prop-2-enamide (PubChem CID 175848652) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-(6-methoxyquinolin-2-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(6-methoxyquinolin-2-yl)prop-2-enamide
PubChem CID175848652
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name3-(6-methoxyquinolin-2-yl)prop-2-enamide
SMILESCOc1ccc2nc(C=CC(N)=O)ccc2c1
InChIInChI=1S/C13H12N2O2/c1-17-11-5-6-12-9(8-11)2-3-10(15-12)4-7-13(14)16/h2-8H,1H3,(H2,14,16)
InChIKeyBYKHJHYLJGUCFO-UHFFFAOYSA-N
XLogP1.74
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(6-methoxyquinolin-2-yl)prop-2-enoic acid
CID 68678260
(E)-3-(2,6-dimethoxyquinolin-3-yl)prop-2-enamide
CID 170878117
3-(2-formyl-4-methoxyphenyl)prop-2-enamide
CID 169481996
6-methoxy-2-[(E)-2-phenylethenyl]quinoline
CID 71716208
(E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enamide
CID 55266805
ethane;(E)-3-(7-methoxynaphthalen-1-yl)prop-2-enamide
CID 144612318
2-amino-N-[(6-methoxyquinolin-2-yl)methylideneamino]-3-methylbutanamide
CID 3724274
5-[(1E,3E)-4-(6-methoxyquinolin-2-yl)buta-1,3-dienyl]pyridin-2-amine
CID 118336920
6-chloro-2-[2-(4-methoxyphenyl)ethenyl]quinoline
CID 71329713
6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline
CID 166708097
(2S)-2-amino-N-[(E)-(6-methoxyquinolin-2-yl)methylideneamino]-4-methylpentanamide
CID 6889773
3-bromo-6-methoxyquinoline-2-carboxamide
CID 173087075

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxyquinolin-2-yl)prop-2-enamide?
The IUPAC name of 3-(6-methoxyquinolin-2-yl)prop-2-enamide (CID 175848652) is 3-(6-methoxyquinolin-2-yl)prop-2-enamide.
What is the SMILES notation for 3-(6-methoxyquinolin-2-yl)prop-2-enamide?
The canonical SMILES for 3-(6-methoxyquinolin-2-yl)prop-2-enamide is COc1ccc2nc(C=CC(N)=O)ccc2c1.
What is the InChIKey of 3-(6-methoxyquinolin-2-yl)prop-2-enamide?
The InChIKey is BYKHJHYLJGUCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-17-11-5-6-12-9(8-11)2-3-10(15-12)4-7-13(14)16/h2-8H,1H3,(H2,14,16).
What are the key properties of 3-(6-methoxyquinolin-2-yl)prop-2-enamide?
3-(6-methoxyquinolin-2-yl)prop-2-enamide has a molecular weight of 228.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxyquinolin-2-yl)prop-2-enamide is sourced from PubChem (CID 175848652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).