2-[(2-chloro-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl)methyl]benzamide

C17H18ClN5O2 — CID 86670096

IUPAC2-[(2-chloro-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl)methyl]benzamide
SMILESNC(=O)c1ccccc1CN1CC2COCCN2c2nc(Cl)ncc21
InChIInChI=1S/C17H18ClN5O2/c18-17-20-7-14-16(21-17)23-5-6-25-10-12(23)9-22(14)8-11-3-1-2-4-13(11)15(19)24/h1-4,7,12H,5-6,8-10H2,(H2,19,24)
InChIKeyUWZVTNBHGGUVMA-UHFFFAOYSA-N
MW359.82 g/mol
LogP1.45
Rot. Bonds3

About 2-[(2-chloro-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl)methyl]benzamide

2-[(2-chloro-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl)methyl]benzamide (PubChem CID 86670096) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is 2-[(2-chloro-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2-[(2-chloro-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl)methyl]benzamide
PubChem CID86670096
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC Name2-[(2-chloro-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl)methyl]benzamide
SMILESNC(=O)c1ccccc1CN1CC2COCCN2c2nc(Cl)ncc21
InChIInChI=1S/C17H18ClN5O2/c18-17-20-7-14-16(21-17)23-5-6-25-10-12(23)9-22(14)8-11-3-1-2-4-13(11)15(19)24/h1-4,7,12H,5-6,8-10H2,(H2,19,24)
InChIKeyUWZVTNBHGGUVMA-UHFFFAOYSA-N
XLogP1.45
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2-chloro-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl)methyl]benzamide with MolForge

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Related Compounds

2-[4-[(2-chloro-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl)methyl]phenyl]propan-2-ol
CID 88868223
[1-[(6aR)-2-chloro-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl]-4,4-dimethylpentan-3-yl]carbamic acid
CID 88868227
tert-butyl N-[4-[(2-chloro-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl)methyl]cyclohexyl]carbamate
CID 88870035
5-benzyl-2-chloro-6a,7,9,10-tetrahydro-[1,4]oxazino[3,4-h]pteridin-6-one
CID 86670114
2-(3-methylmorpholin-4-yl)pyridine-3-carboxamide
CID 155353856
2-[(6aR)-2-(1H-indol-4-yl)-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl]-N-(2-aminopropan-2-yl)acetamide
CID 71023283
2-chloro-5-propan-2-yl-6a,7,9,10-tetrahydro-[1,4]oxazino[3,4-h]pteridin-6-one
CID 86651570
4-[(2-carbamothioylphenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 83099483
1-(oxolan-3-yl)indole-7-carboxamide
CID 140662744
2-[6-[(2-chlorophenyl)methyl]-1,4-oxazepan-4-yl]acetamide
CID 102604202
2-[(3-bromo-5-cyano-2,3-dihydroindol-1-yl)methyl]benzamide
CID 163630398
2-chloro-7-methyl-9-[(3R)-oxan-3-yl]-8H-purine
CID 135151358

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl)methyl]benzamide?
The IUPAC name of 2-[(2-chloro-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl)methyl]benzamide (CID 86670096) is 2-[(2-chloro-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl)methyl]benzamide.
What is the SMILES notation for 2-[(2-chloro-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl)methyl]benzamide?
The canonical SMILES for 2-[(2-chloro-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl)methyl]benzamide is NC(=O)c1ccccc1CN1CC2COCCN2c2nc(Cl)ncc21.
What is the InChIKey of 2-[(2-chloro-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl)methyl]benzamide?
The InChIKey is UWZVTNBHGGUVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2/c18-17-20-7-14-16(21-17)23-5-6-25-10-12(23)9-22(14)8-11-3-1-2-4-13(11)15(19)24/h1-4,7,12H,5-6,8-10H2,(H2,19,24).
What are the key properties of 2-[(2-chloro-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl)methyl]benzamide?
2-[(2-chloro-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl)methyl]benzamide has a molecular weight of 359.82 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl)methyl]benzamide is sourced from PubChem (CID 86670096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).