2,2-dimethyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one

C21H25N3O2 — CID 13203535

IUPAC2,2-dimethyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one
SMILESCC1(C)Oc2cccnc2N(C(CN2CCCC2)c2ccccc2)C1=O
InChIInChI=1S/C21H25N3O2/c1-21(2)20(25)24(19-18(26-21)11-8-12-22-19)17(15-23-13-6-7-14-23)16-9-4-3-5-10-16/h3-5,8-12,17H,6-7,13-15H2,1-2H3
InChIKeyLRXXTSYAROSKNY-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.42
Rot. Bonds4

About 2,2-dimethyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one

2,2-dimethyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 13203535) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2,2-dimethyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name2,2-dimethyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID13203535
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2,2-dimethyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one
SMILESCC1(C)Oc2cccnc2N(C(CN2CCCC2)c2ccccc2)C1=O
InChIInChI=1S/C21H25N3O2/c1-21(2)20(25)24(19-18(26-21)11-8-12-22-19)17(15-23-13-6-7-14-23)16-9-4-3-5-10-16/h3-5,8-12,17H,6-7,13-15H2,1-2H3
InChIKeyLRXXTSYAROSKNY-UHFFFAOYSA-N
XLogP3.42
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one 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-phenyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
CID 13212014
2-phenyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;trihydrochloride
CID 24844907
4-[2-(diethylamino)-1-phenylethyl]-2-ethylpyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride
CID 24844914
2,2-dimethyl-4-propan-2-yl-1,4-benzoxazin-3-one
CID 117007549
4-benzyl-2,2-dimethyl-3H-pyrido[3,2-b][1,4]oxazine
CID 13212020
3-phenyl-1-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)piperidin-2-one
CID 19421901
N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-9H-xanthene-9-carboxamide
CID 67673330
N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-1-pyridin-2-ylcyclopropane-1-carboxamide
CID 66692410
N,2-dimethyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)propan-2-amine
CID 58948589
1-[(3-ethyl-2-pyridinyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 82734995
(2R)-N-[(4-bromophenyl)methyl]-2-methyl-3-oxo-4-propan-2-ylpyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102654
6-amino-4-benzyl-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one
CID 83493794

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 2,2-dimethyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one (CID 13203535) is 2,2-dimethyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 2,2-dimethyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 2,2-dimethyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one is CC1(C)Oc2cccnc2N(C(CN2CCCC2)c2ccccc2)C1=O.
What is the InChIKey of 2,2-dimethyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is LRXXTSYAROSKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-21(2)20(25)24(19-18(26-21)11-8-12-22-19)17(15-23-13-6-7-14-23)16-9-4-3-5-10-16/h3-5,8-12,17H,6-7,13-15H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one?
2,2-dimethyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 351.45 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 13203535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).