N-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

C22H22N2O4 — CID 31012307

IUPACN-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESC=CCNC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12
InChIInChI=1S/C22H22N2O4/c1-5-10-23-22(25)16-13-18(24-17-9-7-6-8-15(16)17)14-11-19(26-2)21(28-4)20(12-14)27-3/h5-9,11-13H,1,10H2,2-4H3,(H,23,25)
InChIKeyNWTOBFRXNNCFMV-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.84
Rot. Bonds7

About N-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

N-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 31012307) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
PubChem CID31012307
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESC=CCNC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12
InChIInChI=1S/C22H22N2O4/c1-5-10-23-22(25)16-13-18(24-17-9-7-6-8-15(16)17)14-11-19(26-2)21(28-4)20(12-14)27-3/h5-9,11-13H,1,10H2,2-4H3,(H,23,25)
InChIKeyNWTOBFRXNNCFMV-UHFFFAOYSA-N
XLogP3.84
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 35832021
N-(3-methylbutyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 35139214
N-[(3,5-dimethoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 46098754
N-propan-2-yl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 29198652
2-(3,4-dichlorophenyl)-N-prop-2-enylquinoline-4-carboxamide
CID 5209906
N-[(2S)-1-aminopropan-2-yl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 120506277
2-methoxyethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 32773013
2-(5-methylfuran-2-yl)-N-prop-2-enylquinoline-4-carboxamide
CID 3420064
tert-butyl N-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]carbamate
CID 102304584
N-(2-methylquinolin-4-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 3900592
N-(2-bromophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 42993277
N-[(E)-(4-acetamidophenyl)methylideneamino]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 42991259

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (CID 31012307) is N-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is C=CCNC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12.
What is the InChIKey of N-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is NWTOBFRXNNCFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-5-10-23-22(25)16-13-18(24-17-9-7-6-8-15(16)17)14-11-19(26-2)21(28-4)20(12-14)27-3/h5-9,11-13H,1,10H2,2-4H3,(H,23,25).
What are the key properties of N-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
N-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 31012307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).