2-phenyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine

C25H27N3O — CID 13212014

IUPAC2-phenyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESc1ccc(C2CN(C(CN3CCCC3)c3ccccc3)c3ncccc3O2)cc1
InChIInChI=1S/C25H27N3O/c1-3-10-20(11-4-1)22(18-27-16-7-8-17-27)28-19-24(21-12-5-2-6-13-21)29-23-14-9-15-26-25(23)28/h1-6,9-15,22,24H,7-8,16-19H2
InChIKeySLNISOHPNRUTSM-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.86
Rot. Bonds5

About 2-phenyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine

2-phenyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine (PubChem CID 13212014) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-phenyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name2-phenyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
PubChem CID13212014
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name2-phenyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESc1ccc(C2CN(C(CN3CCCC3)c3ccccc3)c3ncccc3O2)cc1
InChIInChI=1S/C25H27N3O/c1-3-10-20(11-4-1)22(18-27-16-7-8-17-27)28-19-24(21-12-5-2-6-13-21)29-23-14-9-15-26-25(23)28/h1-6,9-15,22,24H,7-8,16-19H2
InChIKeySLNISOHPNRUTSM-UHFFFAOYSA-N
XLogP4.86
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;trihydrochloride
CID 24844907
2,2-dimethyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one
CID 13203535
N-benzyl-4-oxo-4-(2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)butanamide
CID 46375103
N-[2-(azepan-1-yl)ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide
CID 22553113
3-phenyl-1-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)piperidin-2-one
CID 19421901
3-(3,4-dichlorophenyl)-1-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2,4-dione
CID 19421899
N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)-2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetamide
CID 118753996
(2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-phenylmethanone
CID 71327059
(2R)-2-phenyl-4-propan-2-yl-2,3-dihydro-1,4-benzoxazepin-5-one
CID 95987150
(2S)-2-phenyl-4-propan-2-yl-2,3-dihydro-1,4-benzoxazepin-5-one
CID 95987149
N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)-3-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propanamide
CID 45231812
N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide
CID 30852484

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The IUPAC name of 2-phenyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine (CID 13212014) is 2-phenyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 2-phenyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 2-phenyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine is c1ccc(C2CN(C(CN3CCCC3)c3ccccc3)c3ncccc3O2)cc1.
What is the InChIKey of 2-phenyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The InChIKey is SLNISOHPNRUTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c1-3-10-20(11-4-1)22(18-27-16-7-8-17-27)28-19-24(21-12-5-2-6-13-21)29-23-14-9-15-26-25(23)28/h1-6,9-15,22,24H,7-8,16-19H2.
What are the key properties of 2-phenyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine?
2-phenyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine has a molecular weight of 385.51 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 13212014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).