(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone

C23H22N2O3 — CID 126780431

IUPAC(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
SMILESCC1(C)CN(C(=O)c2cccc(OCc3cccnc3)c2)c2ccccc2O1
InChIInChI=1S/C23H22N2O3/c1-23(2)16-25(20-10-3-4-11-21(20)28-23)22(26)18-8-5-9-19(13-18)27-15-17-7-6-12-24-14-17/h3-14H,15-16H2,1-2H3
InChIKeyKVAMELLRARKKOL-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.48
Rot. Bonds4

About (2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone

(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone (PubChem CID 126780431) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is (2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone.

Molecular Properties

Compound Name(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
PubChem CID126780431
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
SMILESCC1(C)CN(C(=O)c2cccc(OCc3cccnc3)c2)c2ccccc2O1
InChIInChI=1S/C23H22N2O3/c1-23(2)16-25(20-10-3-4-11-21(20)28-23)22(26)18-8-5-9-19(13-18)27-15-17-7-6-12-24-14-17/h3-14H,15-16H2,1-2H3
InChIKeyKVAMELLRARKKOL-UHFFFAOYSA-N
XLogP4.48
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone 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

1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
N,N-diethyl-1-[3-(pyridin-3-ylmethoxy)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 55772271
(4-methylsulfonylpiperazin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 55822313
4-[3-[(4-fluorophenyl)methoxy]benzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 42886373
(2,2-dimethylchromen-6-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 10090611
(4-anilinopiperidin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 86826233
(3,3-dimethylazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone
CID 155462351
1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxylic acid
CID 119349727
[(3R)-3-aminopyrrolidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 119410482
[3-(pyridin-3-ylmethoxy)phenyl] benzoate
CID 11460927
4-fluoro-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 55977869
[(3R)-3-aminopyrrolidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride
CID 119410481

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone?
The IUPAC name of (2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone (CID 126780431) is (2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone.
What is the SMILES notation for (2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone?
The canonical SMILES for (2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone is CC1(C)CN(C(=O)c2cccc(OCc3cccnc3)c2)c2ccccc2O1.
What is the InChIKey of (2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone?
The InChIKey is KVAMELLRARKKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-23(2)16-25(20-10-3-4-11-21(20)28-23)22(26)18-8-5-9-19(13-18)27-15-17-7-6-12-24-14-17/h3-14H,15-16H2,1-2H3.
What are the key properties of (2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone?
(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone has a molecular weight of 374.44 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 126780431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).