N-[1-(2-methoxyphenyl)ethyl]quinoline-4-carboxamide

C19H18N2O2 — CID 78814424

IUPACN-[1-(2-methoxyphenyl)ethyl]quinoline-4-carboxamide
SMILESCOc1ccccc1C(C)NC(=O)c1ccnc2ccccc12
InChIInChI=1S/C19H18N2O2/c1-13(14-7-4-6-10-18(14)23-2)21-19(22)16-11-12-20-17-9-5-3-8-15(16)17/h3-13H,1-2H3,(H,21,22)
InChIKeyKPMPMINBYUGKRD-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.73
Rot. Bonds4

About N-[1-(2-methoxyphenyl)ethyl]quinoline-4-carboxamide

N-[1-(2-methoxyphenyl)ethyl]quinoline-4-carboxamide (PubChem CID 78814424) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]quinoline-4-carboxamide
PubChem CID78814424
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]quinoline-4-carboxamide
SMILESCOc1ccccc1C(C)NC(=O)c1ccnc2ccccc12
InChIInChI=1S/C19H18N2O2/c1-13(14-7-4-6-10-18(14)23-2)21-19(22)16-11-12-20-17-9-5-3-8-15(16)17/h3-13H,1-2H3,(H,21,22)
InChIKeyKPMPMINBYUGKRD-UHFFFAOYSA-N
XLogP3.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-2-methylquinoline-4-carboxamide
CID 4883107
N-[1-(4-ethoxyphenyl)ethyl]quinoline-4-carboxamide
CID 134010257
N-[1-(3,4,5-trimethoxyphenyl)ethyl]quinoline-5-carboxamide
CID 55725605
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4-carboxamide
CID 103725802
3-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 66462846
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(methylamino)benzamide
CID 81390779
3-(quinoline-4-carbonylamino)butanoic acid
CID 81455717
N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51474665
N-pentan-3-ylquinoline-4-carboxamide
CID 78813506
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 40817507
2-bromo-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 103753873
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 92648552

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]quinoline-4-carboxamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]quinoline-4-carboxamide (CID 78814424) is N-[1-(2-methoxyphenyl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]quinoline-4-carboxamide is COc1ccccc1C(C)NC(=O)c1ccnc2ccccc12.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]quinoline-4-carboxamide?
The InChIKey is KPMPMINBYUGKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13(14-7-4-6-10-18(14)23-2)21-19(22)16-11-12-20-17-9-5-3-8-15(16)17/h3-13H,1-2H3,(H,21,22).
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]quinoline-4-carboxamide?
N-[1-(2-methoxyphenyl)ethyl]quinoline-4-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 78814424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).