1-[3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(quinolin-3-ylmethyl)methanamine

C23H21ClN4O — CID 162798715

IUPAC1-[3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(quinolin-3-ylmethyl)methanamine
SMILESClc1cccc(-c2cnc3n2CC(CNCc2cnc4ccccc4c2)OC3)c1
InChIInChI=1S/C23H21ClN4O/c24-19-6-3-5-18(9-19)22-13-27-23-15-29-20(14-28(22)23)12-25-10-16-8-17-4-1-2-7-21(17)26-11-16/h1-9,11,13,20,25H,10,12,14-15H2
InChIKeyUXDUOIKUQOTZIA-UHFFFAOYSA-N
MW404.90 g/mol
LogP4.44
Rot. Bonds5

About 1-[3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(quinolin-3-ylmethyl)methanamine

1-[3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(quinolin-3-ylmethyl)methanamine (PubChem CID 162798715) has the molecular formula C23H21ClN4O and a molecular weight of 404.90 g/mol. Its IUPAC name is 1-[3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(quinolin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(quinolin-3-ylmethyl)methanamine
PubChem CID162798715
Molecular FormulaC23H21ClN4O
Molecular Weight404.90 g/mol
Exact Mass404.14
IUPAC Name1-[3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(quinolin-3-ylmethyl)methanamine
SMILESClc1cccc(-c2cnc3n2CC(CNCc2cnc4ccccc4c2)OC3)c1
InChIInChI=1S/C23H21ClN4O/c24-19-6-3-5-18(9-19)22-13-27-23-15-29-20(14-28(22)23)12-25-10-16-8-17-4-1-2-7-21(17)26-11-16/h1-9,11,13,20,25H,10,12,14-15H2
InChIKeyUXDUOIKUQOTZIA-UHFFFAOYSA-N
XLogP4.44
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(6S)-3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1H-indol-3-ylmethyl)methanamine
CID 75367631
1-[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-fluorophenyl)methyl]methanamine
CID 75367582
N-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide
CID 162802327
1-[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine
CID 162808525
2-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylcarbamoyl]benzoic acid
CID 75367448
N-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenoxyacetamide
CID 162797907
1-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-3-propan-2-ylurea
CID 162798838
1-[(4S)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]-N-(quinolin-3-ylmethyl)methanamine
CID 75411118
1-(2,2-dimethylcyclopropyl)-N-(quinolin-3-ylmethyl)methanamine
CID 113234893
N-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide
CID 75367461
N-(quinolin-3-ylmethyl)ethanamine
CID 16640553
4-chloro-N-[[(6R)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]benzenesulfonamide
CID 75367472

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(quinolin-3-ylmethyl)methanamine?
The IUPAC name of 1-[3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(quinolin-3-ylmethyl)methanamine (CID 162798715) is 1-[3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(quinolin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-[3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(quinolin-3-ylmethyl)methanamine?
The canonical SMILES for 1-[3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(quinolin-3-ylmethyl)methanamine is Clc1cccc(-c2cnc3n2CC(CNCc2cnc4ccccc4c2)OC3)c1.
What is the InChIKey of 1-[3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(quinolin-3-ylmethyl)methanamine?
The InChIKey is UXDUOIKUQOTZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O/c24-19-6-3-5-18(9-19)22-13-27-23-15-29-20(14-28(22)23)12-25-10-16-8-17-4-1-2-7-21(17)26-11-16/h1-9,11,13,20,25H,10,12,14-15H2.
What are the key properties of 1-[3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(quinolin-3-ylmethyl)methanamine?
1-[3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(quinolin-3-ylmethyl)methanamine has a molecular weight of 404.90 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(quinolin-3-ylmethyl)methanamine is sourced from PubChem (CID 162798715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).