N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide

C20H19N3O3 — CID 94096632

IUPACN-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide
SMILESO=C(CCn1ncc(=O)c2ccccc21)NC[C@@H]1Cc2ccccc2O1
InChIInChI=1S/C20H19N3O3/c24-18-13-22-23(17-7-3-2-6-16(17)18)10-9-20(25)21-12-15-11-14-5-1-4-8-19(14)26-15/h1-8,13,15H,9-12H2,(H,21,25)/t15-/m0/s1
InChIKeyUBXYBDBJYJMIIN-HNNXBMFYSA-N
MW349.39 g/mol
LogP1.91
Rot. Bonds5

About N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide

N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide (PubChem CID 94096632) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide.

Molecular Properties

Compound NameN-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide
PubChem CID94096632
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide
SMILESO=C(CCn1ncc(=O)c2ccccc21)NC[C@@H]1Cc2ccccc2O1
InChIInChI=1S/C20H19N3O3/c24-18-13-22-23(17-7-3-2-6-16(17)18)10-9-20(25)21-12-15-11-14-5-1-4-8-19(14)26-15/h1-8,13,15H,9-12H2,(H,21,25)/t15-/m0/s1
InChIKeyUBXYBDBJYJMIIN-HNNXBMFYSA-N
XLogP1.91
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3S)-oxan-3-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 94632802
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 86925824
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-hydroxypentanamide
CID 79210222
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydroxypentanamide
CID 79192348
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 94096617
3-(4-oxocinnolin-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 51265428
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 109381292
3-(4-oxocinnolin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
CID 17490457
N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 55964795
N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 98784775
5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanamide
CID 82012136

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide?
The IUPAC name of N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide (CID 94096632) is N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide.
What is the SMILES notation for N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide?
The canonical SMILES for N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide is O=C(CCn1ncc(=O)c2ccccc21)NC[C@@H]1Cc2ccccc2O1.
What is the InChIKey of N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide?
The InChIKey is UBXYBDBJYJMIIN-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-18-13-22-23(17-7-3-2-6-16(17)18)10-9-20(25)21-12-15-11-14-5-1-4-8-19(14)26-15/h1-8,13,15H,9-12H2,(H,21,25)/t15-/m0/s1.
What are the key properties of N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide?
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide has a molecular weight of 349.39 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide is sourced from PubChem (CID 94096632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).