N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

C27H28N2O6 — CID 55614946

IUPACN-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESCOCCN(Cc1ccco1)C(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12
InChIInChI=1S/C27H28N2O6/c1-31-13-11-29(17-19-8-7-12-35-19)27(30)21-16-23(28-22-10-6-5-9-20(21)22)18-14-24(32-2)26(34-4)25(15-18)33-3/h5-10,12,14-16H,11,13,17H2,1-4H3
InChIKeyCKTCWRLLIIPQBP-UHFFFAOYSA-N
MW476.53 g/mol
LogP4.81
Rot. Bonds10

About N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 55614946) has the molecular formula C27H28N2O6 and a molecular weight of 476.53 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
PubChem CID55614946
Molecular FormulaC27H28N2O6
Molecular Weight476.53 g/mol
Exact Mass476.19
IUPAC NameN-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESCOCCN(Cc1ccco1)C(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12
InChIInChI=1S/C27H28N2O6/c1-31-13-11-29(17-19-8-7-12-35-19)27(30)21-16-23(28-22-10-6-5-9-20(21)22)18-14-24(32-2)26(34-4)25(15-18)33-3/h5-10,12,14-16H,11,13,17H2,1-4H3
InChIKeyCKTCWRLLIIPQBP-UHFFFAOYSA-N
XLogP4.81
TPSA83.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxyethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 32773013
4-chloro-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)thieno[3,2-c]quinoline-2-carboxamide
CID 46256182
N-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 31012307
N-[2-[furan-2-ylmethyl(2-methoxyethyl)amino]ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 46348996
N-propan-2-yl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 29198652
2-(4-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide
CID 135768682
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
benzyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 2366983
N-(2-methylquinolin-4-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 3900592
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237
N-(furan-2-ylmethyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 856014

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (CID 55614946) is N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is COCCN(Cc1ccco1)C(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is CKTCWRLLIIPQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O6/c1-31-13-11-29(17-19-8-7-12-35-19)27(30)21-16-23(28-22-10-6-5-9-20(21)22)18-14-24(32-2)26(34-4)25(15-18)33-3/h5-10,12,14-16H,11,13,17H2,1-4H3.
What are the key properties of N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 476.53 g/mol, XLogP of 4.81, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 55614946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).