2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone

C20H22N2O3 — CID 68843498

IUPAC2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccccc1C1CCN(C(=O)N2CCOc3ccccc32)C1
InChIInChI=1S/C20H22N2O3/c1-24-18-8-4-2-6-16(18)15-10-11-21(14-15)20(23)22-12-13-25-19-9-5-3-7-17(19)22/h2-9,15H,10-14H2,1H3
InChIKeyPYHZETFYFQGAEX-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.50
Rot. Bonds2

About 2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone

2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 68843498) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID68843498
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccccc1C1CCN(C(=O)N2CCOc3ccccc32)C1
InChIInChI=1S/C20H22N2O3/c1-24-18-8-4-2-6-16(18)15-10-11-21(14-15)20(23)22-12-13-25-19-9-5-3-7-17(19)22/h2-9,15H,10-14H2,1H3
InChIKeyPYHZETFYFQGAEX-UHFFFAOYSA-N
XLogP3.50
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-fluorophenyl)pyrrolidin-1-yl]methanone
CID 140539199
2,3-dihydro-1,4-benzoxazin-4-yl-[3-[2-(trifluoromethyl)-3-pyridinyl]pyrrolidin-1-yl]methanone
CID 68844958
1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 22521241
2,3-dihydro-1,4-benzoxazin-4-yl-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 54583349
(1-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 111437303
1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 22521212
(2-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 110015914
(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 68843374
5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120689077
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521341
1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110479648
methyl 3,4-dihydro-2H-1,5-benzoxazepine-5-carboxylate
CID 66829621

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone (CID 68843498) is 2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone is COc1ccccc1C1CCN(C(=O)N2CCOc3ccccc32)C1.
What is the InChIKey of 2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is PYHZETFYFQGAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-24-18-8-4-2-6-16(18)15-10-11-21(14-15)20(23)22-12-13-25-19-9-5-3-7-17(19)22/h2-9,15H,10-14H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone?
2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 338.41 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 68843498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).