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

C19H18N2O4 — CID 17410358

IUPACN-(3,4,5-trimethoxyphenyl)quinoline-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C19H18N2O4/c1-23-16-10-13(11-17(24-2)18(16)25-3)20-19(22)15-9-8-12-6-4-5-7-14(12)21-15/h4-11H,1-3H3,(H,20,22)
InChIKeyUWZYHBAAYIVFHK-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.51
Rot. Bonds5

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

N-(3,4,5-trimethoxyphenyl)quinoline-2-carboxamide (PubChem CID 17410358) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(3,4,5-trimethoxyphenyl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(3,4,5-trimethoxyphenyl)quinoline-2-carboxamide
PubChem CID17410358
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-(3,4,5-trimethoxyphenyl)quinoline-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C19H18N2O4/c1-23-16-10-13(11-17(24-2)18(16)25-3)20-19(22)15-9-8-12-6-4-5-7-14(12)21-15/h4-11H,1-3H3,(H,20,22)
InChIKeyUWZYHBAAYIVFHK-UHFFFAOYSA-N
XLogP3.51
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4,5-dimethoxy-2-(quinoline-2-carbonylamino)phenyl]quinoline-2-carboxamide
CID 91594053
N-(2-methoxypyrimidin-5-yl)quinoline-2-carboxamide
CID 122301510
N-(4-methoxy-3-sulfamoylphenyl)quinoline-2-carboxamide
CID 4789220
N-(5-chloro-2-methoxyphenyl)quinoline-2-carboxamide
CID 2111763
N-(3,4,5-trimethoxyphenyl)naphthalene-2-carboxamide
CID 7741667
N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]quinoline-2-carboxamide
CID 38661634
tert-butyl N-[2-methoxy-5-(quinoline-2-carbonylamino)phenyl]carbamate
CID 55654804
N-(3,4,5-trimethoxyphenyl)quinolin-2-amine
CID 57393025
2-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 7741659
1-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)urea
CID 16645769
N-(4-bromophenyl)quinoline-2-carboxamide
CID 5112006
5-(benzylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
CID 109188107

Frequently Asked Questions

What is the IUPAC name of N-(3,4,5-trimethoxyphenyl)quinoline-2-carboxamide?
The IUPAC name of N-(3,4,5-trimethoxyphenyl)quinoline-2-carboxamide (CID 17410358) is N-(3,4,5-trimethoxyphenyl)quinoline-2-carboxamide.
What is the SMILES notation for N-(3,4,5-trimethoxyphenyl)quinoline-2-carboxamide?
The canonical SMILES for N-(3,4,5-trimethoxyphenyl)quinoline-2-carboxamide is COc1cc(NC(=O)c2ccc3ccccc3n2)cc(OC)c1OC.
What is the InChIKey of N-(3,4,5-trimethoxyphenyl)quinoline-2-carboxamide?
The InChIKey is UWZYHBAAYIVFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-23-16-10-13(11-17(24-2)18(16)25-3)20-19(22)15-9-8-12-6-4-5-7-14(12)21-15/h4-11H,1-3H3,(H,20,22).
What are the key properties of N-(3,4,5-trimethoxyphenyl)quinoline-2-carboxamide?
N-(3,4,5-trimethoxyphenyl)quinoline-2-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,5-trimethoxyphenyl)quinoline-2-carboxamide is sourced from PubChem (CID 17410358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).