3-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide

C25H28N4O3 — CID 162488517

IUPAC3-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
SMILESNC(=O)c1nc2n(c1C[C@H](O)CN1CCc3ccccc3C1)CC(c1ccccc1)OC2
InChIInChI=1S/C25H28N4O3/c26-25(31)24-21(12-20(30)14-28-11-10-17-6-4-5-9-19(17)13-28)29-15-22(32-16-23(29)27-24)18-7-2-1-3-8-18/h1-9,20,22,30H,10-16H2,(H2,26,31)/t20-,22?/m0/s1
InChIKeyJGUVLJQORASJKX-AIBWNMTMSA-N
MW432.52 g/mol
LogP2.22
Rot. Bonds6

About 3-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide

3-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 162488517) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 3-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name3-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID162488517
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name3-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
SMILESNC(=O)c1nc2n(c1C[C@H](O)CN1CCc3ccccc3C1)CC(c1ccccc1)OC2
InChIInChI=1S/C25H28N4O3/c26-25(31)24-21(12-20(30)14-28-11-10-17-6-4-5-9-19(17)13-28)29-15-22(32-16-23(29)27-24)18-7-2-1-3-8-18/h1-9,20,22,30H,10-16H2,(H2,26,31)/t20-,22?/m0/s1
InChIKeyJGUVLJQORASJKX-AIBWNMTMSA-N
XLogP2.22
TPSA93.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide 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

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
CID 138634296
3-[1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrrolidin-3-yl]benzamide
CID 140768722
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylpiperidin-1-yl)propan-2-ol
CID 175811247
3,4-dihydro-1H-isoquinolin-2-yl-[(6R)-6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]methanone
CID 125127131
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanamide
CID 82079357
5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]cyclohexa-2,4-dien-1-one
CID 149214838
3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinazolin-4-one
CID 47556817
(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanoic acid
CID 93107764
3-[[[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 125442811
(2R)-2-amino-4-(3,4-dihydro-1H-isoquinolin-2-yl)butanoic acid
CID 142349412
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 39238520
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpyrazolidine-4-carboxamide
CID 133081880

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of 3-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide (CID 162488517) is 3-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for 3-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for 3-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide is NC(=O)c1nc2n(c1C[C@H](O)CN1CCc3ccccc3C1)CC(c1ccccc1)OC2.
What is the InChIKey of 3-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is JGUVLJQORASJKX-AIBWNMTMSA-N. The full InChI is InChI=1S/C25H28N4O3/c26-25(31)24-21(12-20(30)14-28-11-10-17-6-4-5-9-19(17)13-28)29-15-22(32-16-23(29)27-24)18-7-2-1-3-8-18/h1-9,20,22,30H,10-16H2,(H2,26,31)/t20-,22?/m0/s1.
What are the key properties of 3-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide?
3-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 162488517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).