N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-8-carboxamide

C20H20N2O3 — CID 17401154

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-8-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cccc3cccnc23)cc1OC
InChIInChI=1S/C20H20N2O3/c1-24-17-9-8-14(13-18(17)25-2)10-12-22-20(23)16-7-3-5-15-6-4-11-21-19(15)16/h3-9,11,13H,10,12H2,1-2H3,(H,22,23)
InChIKeyBVBJZWZHKWBWLD-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.22
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-8-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-8-carboxamide (PubChem CID 17401154) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-8-carboxamide
PubChem CID17401154
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-8-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cccc3cccnc23)cc1OC
InChIInChI=1S/C20H20N2O3/c1-24-17-9-8-14(13-18(17)25-2)10-12-22-20(23)16-7-3-5-15-6-4-11-21-19(15)16/h3-9,11,13H,10,12H2,1-2H3,(H,22,23)
InChIKeyBVBJZWZHKWBWLD-UHFFFAOYSA-N
XLogP3.22
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-quinolin-8-yloxamide
CID 108506300
2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]benzoic acid
CID 785993
2-(4-bromophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 32615992
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide
CID 3519219
N-[2-(4-methoxyphenoxy)ethyl]quinoline-8-carboxamide
CID 51232751
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095683
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 92648353
2-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 110451906
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrimidin-2-ylurea
CID 108891346
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide
CID 2353295
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111214666
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-(2-quinolin-8-ylethyl)guanidine
CID 111213985

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-8-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-8-carboxamide (CID 17401154) is N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-8-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-8-carboxamide is COc1ccc(CCNC(=O)c2cccc3cccnc23)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-8-carboxamide?
The InChIKey is BVBJZWZHKWBWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-24-17-9-8-14(13-18(17)25-2)10-12-22-20(23)16-7-3-5-15-6-4-11-21-19(15)16/h3-9,11,13H,10,12H2,1-2H3,(H,22,23).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-8-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-8-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-8-carboxamide is sourced from PubChem (CID 17401154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).