N-quinolin-3-yl-2,3-dihydro-1-benzofuran-5-carboxamide

C18H14N2O2 — CID 39857899

IUPACN-quinolin-3-yl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(Nc1cnc2ccccc2c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H14N2O2/c21-18(14-5-6-17-13(9-14)7-8-22-17)20-15-10-12-3-1-2-4-16(12)19-11-15/h1-6,9-11H,7-8H2,(H,20,21)
InChIKeyRTYYQFLEYPDHPH-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.42
Rot. Bonds2

About N-quinolin-3-yl-2,3-dihydro-1-benzofuran-5-carboxamide

N-quinolin-3-yl-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 39857899) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-quinolin-3-yl-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-quinolin-3-yl-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID39857899
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC NameN-quinolin-3-yl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(Nc1cnc2ccccc2c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H14N2O2/c21-18(14-5-6-17-13(9-14)7-8-22-17)20-15-10-12-3-1-2-4-16(12)19-11-15/h1-6,9-11H,7-8H2,(H,20,21)
InChIKeyRTYYQFLEYPDHPH-UHFFFAOYSA-N
XLogP3.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-quinolin-3-yl-2,3-dihydroindole-5-carboxamide
CID 10447706
4-bromo-N-quinolin-3-ylbenzamide
CID 3301629
3-amino-4-fluoro-N-quinolin-3-ylbenzamide
CID 61111864
4-(azepan-1-yl)-N-quinolin-3-ylbenzamide
CID 66815489
6-chloro-N-quinolin-3-ylpyridine-3-carboxamide
CID 29330391
N-[2-oxo-2-(quinolin-3-ylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 33263240
N-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 110693454
4-(4-oxopiperidin-1-yl)-N-quinolin-3-ylbenzamide
CID 66815608
4-[cyclopentyl(methyl)amino]-N-quinolin-3-ylbenzamide
CID 66816166
N-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62198465
methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoate
CID 110693467
N-[3-(quinoline-3-carbonylamino)phenyl]quinoline-3-carboxamide
CID 171577203

Frequently Asked Questions

What is the IUPAC name of N-quinolin-3-yl-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-quinolin-3-yl-2,3-dihydro-1-benzofuran-5-carboxamide (CID 39857899) is N-quinolin-3-yl-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-quinolin-3-yl-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-quinolin-3-yl-2,3-dihydro-1-benzofuran-5-carboxamide is O=C(Nc1cnc2ccccc2c1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-quinolin-3-yl-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is RTYYQFLEYPDHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c21-18(14-5-6-17-13(9-14)7-8-22-17)20-15-10-12-3-1-2-4-16(12)19-11-15/h1-6,9-11H,7-8H2,(H,20,21).
What are the key properties of N-quinolin-3-yl-2,3-dihydro-1-benzofuran-5-carboxamide?
N-quinolin-3-yl-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-3-yl-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 39857899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).