3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(pyrrolidin-1-yl)methanone

C12H15N3O2 — CID 142494924

IUPAC3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(pyrrolidin-1-yl)methanone
SMILESO=C(c1cnc2c(c1)OCCN2)N1CCCC1
InChIInChI=1S/C12H15N3O2/c16-12(15-4-1-2-5-15)9-7-10-11(14-8-9)13-3-6-17-10/h7-8H,1-6H2,(H,13,14)
InChIKeyDULLFZDOBCDKGQ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.12
Rot. Bonds1

About 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(pyrrolidin-1-yl)methanone

3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(pyrrolidin-1-yl)methanone (PubChem CID 142494924) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(pyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(pyrrolidin-1-yl)methanone
PubChem CID142494924
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(pyrrolidin-1-yl)methanone
SMILESO=C(c1cnc2c(c1)OCCN2)N1CCCC1
InChIInChI=1S/C12H15N3O2/c16-12(15-4-1-2-5-15)9-7-10-11(14-8-9)13-3-6-17-10/h7-8H,1-6H2,(H,13,14)
InChIKeyDULLFZDOBCDKGQ-UHFFFAOYSA-N
XLogP1.12
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(piperidin-1-yl)methanone
CID 139351307
7,8,9,10-tetrahydro-6H-pyrido[3,2-b][1,4]oxazocine-3-carboxylic acid
CID 154995181
[(3R)-3-phenyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl]-pyrrolidin-1-ylmethanone
CID 142494916
[4-(4-fluorophenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]-piperidin-1-ylmethanone
CID 154994839
2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanone
CID 2890
3-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzaldehyde
CID 154994400
2,3-dihydro-1,4-benzodioxin-6-yl-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808457
[3-(3-chlorophenyl)-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl]-pyrrolidin-1-ylmethanone
CID 154994284
3,4-dihydro-2H-1,4-benzoxazin-7-yl-(4-fluoropiperidin-1-yl)methanone
CID 164780322
(5,6-diamino-3-pyridinyl)-piperidin-1-ylmethanone
CID 139832748
7-isocyano-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 59019416
3-methyl-5-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2,3-dihydro-1H-indene-1-carboxylic acid
CID 166887089

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(pyrrolidin-1-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(pyrrolidin-1-yl)methanone (CID 142494924) is 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(pyrrolidin-1-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(pyrrolidin-1-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(pyrrolidin-1-yl)methanone is O=C(c1cnc2c(c1)OCCN2)N1CCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(pyrrolidin-1-yl)methanone?
The InChIKey is DULLFZDOBCDKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c16-12(15-4-1-2-5-15)9-7-10-11(14-8-9)13-3-6-17-10/h7-8H,1-6H2,(H,13,14).
What are the key properties of 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(pyrrolidin-1-yl)methanone?
3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(pyrrolidin-1-yl)methanone has a molecular weight of 233.27 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(pyrrolidin-1-yl)methanone is sourced from PubChem (CID 142494924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).