(E)-3-(2,6-dimethoxyquinolin-3-yl)prop-2-enamide

C14H14N2O3 — CID 170878117

IUPAC(E)-3-(2,6-dimethoxyquinolin-3-yl)prop-2-enamide
SMILESCOc1ccc2nc(OC)c(/C=C/C(N)=O)cc2c1
InChIInChI=1S/C14H14N2O3/c1-18-11-4-5-12-10(8-11)7-9(3-6-13(15)17)14(16-12)19-2/h3-8H,1-2H3,(H2,15,17)/b6-3+
InChIKeyPNADKZBGDRDCMJ-ZZXKWVIFSA-N
MW258.28 g/mol
LogP1.75
Rot. Bonds4

About (E)-3-(2,6-dimethoxyquinolin-3-yl)prop-2-enamide

(E)-3-(2,6-dimethoxyquinolin-3-yl)prop-2-enamide (PubChem CID 170878117) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is (E)-3-(2,6-dimethoxyquinolin-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,6-dimethoxyquinolin-3-yl)prop-2-enamide
PubChem CID170878117
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name(E)-3-(2,6-dimethoxyquinolin-3-yl)prop-2-enamide
SMILESCOc1ccc2nc(OC)c(/C=C/C(N)=O)cc2c1
InChIInChI=1S/C14H14N2O3/c1-18-11-4-5-12-10(8-11)7-9(3-6-13(15)17)14(16-12)19-2/h3-8H,1-2H3,(H2,15,17)/b6-3+
InChIKeyPNADKZBGDRDCMJ-ZZXKWVIFSA-N
XLogP1.75
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-enamide
CID 175848652
3-(2-formyl-4-methoxyphenyl)prop-2-enamide
CID 169481996
(E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enamide
CID 55266805
(E)-1-(3,5-dimethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)prop-2-en-1-one
CID 100818463
(E)-3-(2-methoxyquinolin-3-yl)prop-2-enoate
CID 7042099
ethane;(E)-3-(7-methoxynaphthalen-1-yl)prop-2-enamide
CID 144612318
3-bromo-6-methoxyquinoline-2-carboxamide
CID 173087075
3-(2-methoxyquinolin-3-yl)-1-(4-methylphenyl)prop-2-en-1-one
CID 171935667
CID 71551368
CID 71551368
1-(4-fluorophenyl)-3-(2-methoxyquinolin-3-yl)prop-2-en-1-one
CID 91941705
2-(2,6-dimethoxyquinolin-3-yl)ethanamine
CID 170868890
3-(6-methoxyquinolin-2-yl)prop-2-enoic acid
CID 68678260

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,6-dimethoxyquinolin-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-(2,6-dimethoxyquinolin-3-yl)prop-2-enamide (CID 170878117) is (E)-3-(2,6-dimethoxyquinolin-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,6-dimethoxyquinolin-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,6-dimethoxyquinolin-3-yl)prop-2-enamide is COc1ccc2nc(OC)c(/C=C/C(N)=O)cc2c1.
What is the InChIKey of (E)-3-(2,6-dimethoxyquinolin-3-yl)prop-2-enamide?
The InChIKey is PNADKZBGDRDCMJ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-18-11-4-5-12-10(8-11)7-9(3-6-13(15)17)14(16-12)19-2/h3-8H,1-2H3,(H2,15,17)/b6-3+.
What are the key properties of (E)-3-(2,6-dimethoxyquinolin-3-yl)prop-2-enamide?
(E)-3-(2,6-dimethoxyquinolin-3-yl)prop-2-enamide has a molecular weight of 258.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,6-dimethoxyquinolin-3-yl)prop-2-enamide is sourced from PubChem (CID 170878117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).