N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]quinoline-4-carboxamide

C21H18N2O2 — CID 112837432

IUPACN-[1-(3-methyl-1-benzofuran-2-yl)ethyl]quinoline-4-carboxamide
SMILESCc1c(C(C)NC(=O)c2ccnc3ccccc23)oc2ccccc12
InChIInChI=1S/C21H18N2O2/c1-13-15-7-4-6-10-19(15)25-20(13)14(2)23-21(24)17-11-12-22-18-9-5-3-8-16(17)18/h3-12,14H,1-2H3,(H,23,24)
InChIKeyJCAKVILBMDYQTR-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.78
Rot. Bonds3

About N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]quinoline-4-carboxamide

N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]quinoline-4-carboxamide (PubChem CID 112837432) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methyl-1-benzofuran-2-yl)ethyl]quinoline-4-carboxamide
PubChem CID112837432
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC NameN-[1-(3-methyl-1-benzofuran-2-yl)ethyl]quinoline-4-carboxamide
SMILESCc1c(C(C)NC(=O)c2ccnc3ccccc23)oc2ccccc12
InChIInChI=1S/C21H18N2O2/c1-13-15-7-4-6-10-19(15)25-20(13)14(2)23-21(24)17-11-12-22-18-9-5-3-8-16(17)18/h3-12,14H,1-2H3,(H,23,24)
InChIKeyJCAKVILBMDYQTR-UHFFFAOYSA-N
XLogP4.78
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethylsulfanyl)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pyridine-3-carboxamide
CID 55934068
N-[1-(2-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 78814424
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4-carboxamide
CID 103725802
3-(quinoline-4-carbonylamino)butanoic acid
CID 81455717
N-pentan-3-ylquinoline-4-carboxamide
CID 78813506
N-[1-(4-ethoxyphenyl)ethyl]quinoline-4-carboxamide
CID 134010257
3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1H-indole-2-carboxamide
CID 55971333
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide
CID 87006668
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 55808093
2-ethyl-5-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoyl]furan-3-carboxylic acid
CID 120822841
1-amino-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclopropane-1-carboxamide
CID 119737250
(2S)-2-amino-3,3-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide
CID 119737273

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]quinoline-4-carboxamide?
The IUPAC name of N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]quinoline-4-carboxamide (CID 112837432) is N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]quinoline-4-carboxamide is Cc1c(C(C)NC(=O)c2ccnc3ccccc23)oc2ccccc12.
What is the InChIKey of N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]quinoline-4-carboxamide?
The InChIKey is JCAKVILBMDYQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-13-15-7-4-6-10-19(15)25-20(13)14(2)23-21(24)17-11-12-22-18-9-5-3-8-16(17)18/h3-12,14H,1-2H3,(H,23,24).
What are the key properties of N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]quinoline-4-carboxamide?
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]quinoline-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 112837432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).