3-methoxy-N-prop-2-enylquinoline-4-carboxamide

C14H14N2O2 — CID 110848197

IUPAC3-methoxy-N-prop-2-enylquinoline-4-carboxamide
SMILESC=CCNC(=O)c1c(OC)cnc2ccccc12
InChIInChI=1S/C14H14N2O2/c1-3-8-15-14(17)13-10-6-4-5-7-11(10)16-9-12(13)18-2/h3-7,9H,1,8H2,2H3,(H,15,17)
InChIKeyJCPDYXPEKPDUCX-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.16
Rot. Bonds4

About 3-methoxy-N-prop-2-enylquinoline-4-carboxamide

3-methoxy-N-prop-2-enylquinoline-4-carboxamide (PubChem CID 110848197) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-methoxy-N-prop-2-enylquinoline-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-prop-2-enylquinoline-4-carboxamide
PubChem CID110848197
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3-methoxy-N-prop-2-enylquinoline-4-carboxamide
SMILESC=CCNC(=O)c1c(OC)cnc2ccccc12
InChIInChI=1S/C14H14N2O2/c1-3-8-15-14(17)13-10-6-4-5-7-11(10)16-9-12(13)18-2/h3-7,9H,1,8H2,2H3,(H,15,17)
InChIKeyJCPDYXPEKPDUCX-UHFFFAOYSA-N
XLogP2.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[(2-methylphenyl)methyl]quinoline-4-carboxamide
CID 110850751
2,6-dimethoxy-N-prop-2-enylbenzamide
CID 3569670
3-methoxy-N-(2-methoxyphenyl)quinoline-4-carboxamide
CID 110859914
N-butan-2-yl-3-methoxyquinoline-4-carboxamide
CID 110848533
N,N-diethyl-3-methoxyquinoline-4-carboxamide
CID 110855209
N-(1,3-benzodioxol-5-ylmethyl)-3-methoxyquinoline-4-carboxamide
CID 110851796
2-methoxy-N-prop-2-enylbenzamide
CID 4063222
N-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 31012307
2-methoxy-6-nitro-N-prop-2-enylbenzamide
CID 81420346
5-[(2-methoxyphenyl)methylamino]-N-prop-2-enylpyridine-2-carboxamide
CID 109180259
N-prop-2-enyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 46531624
4-methoxy-2,3-dimethyl-N-prop-2-enylbenzamide
CID 110763144

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-prop-2-enylquinoline-4-carboxamide?
The IUPAC name of 3-methoxy-N-prop-2-enylquinoline-4-carboxamide (CID 110848197) is 3-methoxy-N-prop-2-enylquinoline-4-carboxamide.
What is the SMILES notation for 3-methoxy-N-prop-2-enylquinoline-4-carboxamide?
The canonical SMILES for 3-methoxy-N-prop-2-enylquinoline-4-carboxamide is C=CCNC(=O)c1c(OC)cnc2ccccc12.
What is the InChIKey of 3-methoxy-N-prop-2-enylquinoline-4-carboxamide?
The InChIKey is JCPDYXPEKPDUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-3-8-15-14(17)13-10-6-4-5-7-11(10)16-9-12(13)18-2/h3-7,9H,1,8H2,2H3,(H,15,17).
What are the key properties of 3-methoxy-N-prop-2-enylquinoline-4-carboxamide?
3-methoxy-N-prop-2-enylquinoline-4-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-prop-2-enylquinoline-4-carboxamide is sourced from PubChem (CID 110848197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).