1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone

C19H21N3O2 — CID 56885770

IUPAC1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone
SMILESO=C(CN1CCCC1c1ccccn1)N1CCOc2ccccc21
InChIInChI=1S/C19H21N3O2/c23-19(22-12-13-24-18-9-2-1-7-17(18)22)14-21-11-5-8-16(21)15-6-3-4-10-20-15/h1-4,6-7,9-10,16H,5,8,11-14H2
InChIKeyYRMYAKIXSKVEIU-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.64
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone

1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone (PubChem CID 56885770) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone
PubChem CID56885770
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone
SMILESO=C(CN1CCCC1c1ccccn1)N1CCOc2ccccc21
InChIInChI=1S/C19H21N3O2/c23-19(22-12-13-24-18-9-2-1-7-17(18)22)14-21-11-5-8-16(21)15-6-3-4-10-20-15/h1-4,6-7,9-10,16H,5,8,11-14H2
InChIKeyYRMYAKIXSKVEIU-UHFFFAOYSA-N
XLogP2.64
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-pyridin-2-ylpyrrolidin-1-yl)acetic acid
CID 131863720
(3aS,7aS)-2-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 98412866
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-quinolin-8-ylethanone
CID 71941938
2-(dimethylamino)-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone
CID 73440457
cyclopentyl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 110712921
2-(1,4-diazepan-1-yl)-1-(2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 62838358
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 155911512
2-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]benzoic acid
CID 95200148
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-piperidin-4-ylethanone
CID 61260164
2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-1-(2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 72919963
2-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1-(2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 154570247
2-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-1-(2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 154564468

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone (CID 56885770) is 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone is O=C(CN1CCCC1c1ccccn1)N1CCOc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone?
The InChIKey is YRMYAKIXSKVEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-19(22-12-13-24-18-9-2-1-7-17(18)22)14-21-11-5-8-16(21)15-6-3-4-10-20-15/h1-4,6-7,9-10,16H,5,8,11-14H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone?
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone has a molecular weight of 323.40 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 56885770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).