3-methoxy-4-prop-2-enoxy-N-quinolin-3-ylbenzamide

C20H18N2O3 — CID 29330284

IUPAC3-methoxy-4-prop-2-enoxy-N-quinolin-3-ylbenzamide
SMILESC=CCOc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1OC
InChIInChI=1S/C20H18N2O3/c1-3-10-25-18-9-8-15(12-19(18)24-2)20(23)22-16-11-14-6-4-5-7-17(14)21-13-16/h3-9,11-13H,1,10H2,2H3,(H,22,23)
InChIKeyDMNHJFYBFJVEEV-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.06
Rot. Bonds6

About 3-methoxy-4-prop-2-enoxy-N-quinolin-3-ylbenzamide

3-methoxy-4-prop-2-enoxy-N-quinolin-3-ylbenzamide (PubChem CID 29330284) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-methoxy-4-prop-2-enoxy-N-quinolin-3-ylbenzamide.

Molecular Properties

Compound Name3-methoxy-4-prop-2-enoxy-N-quinolin-3-ylbenzamide
PubChem CID29330284
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name3-methoxy-4-prop-2-enoxy-N-quinolin-3-ylbenzamide
SMILESC=CCOc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1OC
InChIInChI=1S/C20H18N2O3/c1-3-10-25-18-9-8-15(12-19(18)24-2)20(23)22-16-11-14-6-4-5-7-17(14)21-13-16/h3-9,11-13H,1,10H2,2H3,(H,22,23)
InChIKeyDMNHJFYBFJVEEV-UHFFFAOYSA-N
XLogP4.06
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-prop-2-enoxy-N-quinolin-6-ylbenzamide
CID 60555760
3-methoxy-N-(3-methoxyphenyl)-4-prop-2-enoxybenzamide
CID 27167629
2,4,5-trimethoxy-N-quinolin-3-ylbenzamide
CID 18146468
3-methoxy-N-(4-methylphenyl)-4-prop-2-enoxybenzamide
CID 27284512
N-(3-iodophenyl)-3-methoxy-4-prop-2-enoxybenzamide
CID 27284595
4-(methoxymethyl)-N-quinolin-3-ylbenzamide
CID 18153378
4-methyl-N-quinolin-3-ylbenzamide
CID 974969
N-[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 42014838
methyl 2-[[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]benzoyl]amino]acetate
CID 46516482
3-methoxy-4-prop-2-enoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55964259
4-bromo-N-quinolin-3-ylbenzamide
CID 3301629
N-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 119440436

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-prop-2-enoxy-N-quinolin-3-ylbenzamide?
The IUPAC name of 3-methoxy-4-prop-2-enoxy-N-quinolin-3-ylbenzamide (CID 29330284) is 3-methoxy-4-prop-2-enoxy-N-quinolin-3-ylbenzamide.
What is the SMILES notation for 3-methoxy-4-prop-2-enoxy-N-quinolin-3-ylbenzamide?
The canonical SMILES for 3-methoxy-4-prop-2-enoxy-N-quinolin-3-ylbenzamide is C=CCOc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1OC.
What is the InChIKey of 3-methoxy-4-prop-2-enoxy-N-quinolin-3-ylbenzamide?
The InChIKey is DMNHJFYBFJVEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-3-10-25-18-9-8-15(12-19(18)24-2)20(23)22-16-11-14-6-4-5-7-17(14)21-13-16/h3-9,11-13H,1,10H2,2H3,(H,22,23).
What are the key properties of 3-methoxy-4-prop-2-enoxy-N-quinolin-3-ylbenzamide?
3-methoxy-4-prop-2-enoxy-N-quinolin-3-ylbenzamide has a molecular weight of 334.38 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-prop-2-enoxy-N-quinolin-3-ylbenzamide is sourced from PubChem (CID 29330284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).