4-(cyclopropylmethyl)-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one

C13H16N2O2 — CID 90215454

IUPAC4-(cyclopropylmethyl)-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCC1(C)Oc2cccnc2N(CC2CC2)C1=O
InChIInChI=1S/C13H16N2O2/c1-13(2)12(16)15(8-9-5-6-9)11-10(17-13)4-3-7-14-11/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyYZQTVMXACZMLIA-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.00
Rot. Bonds2

About 4-(cyclopropylmethyl)-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one

4-(cyclopropylmethyl)-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 90215454) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one
PubChem CID90215454
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-(cyclopropylmethyl)-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCC1(C)Oc2cccnc2N(CC2CC2)C1=O
InChIInChI=1S/C13H16N2O2/c1-13(2)12(16)15(8-9-5-6-9)11-10(17-13)4-3-7-14-11/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyYZQTVMXACZMLIA-UHFFFAOYSA-N
XLogP2.00
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one
CID 156507731
(2S)-N-cycloheptyl-4-ethyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 97416476
2-(cyclopropylmethyl)-2,4,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,10,12-tetraen-8-one
CID 13425121
2,2-dimethyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one
CID 13203535
(2S)-4-butyl-N-cyclopentyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102731
(2R)-4-butyl-N-cyclopentyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102732
(2R)-4-butyl-N-cycloheptyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102706
(2R)-4-butyl-2-methyl-2-(4-methylpiperazine-1-carbonyl)pyrido[3,2-b][1,4]oxazin-3-one
CID 95058499
N-cyclopropyl-N,2,2-trimethyl-3H-pyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 166302369
3-iodo-5-methylspiro[3H-pyrido[3,2-b][1,4]oxazepine-2,1'-cyclopropane]-4-one
CID 130314126
3-iodo-5-methylspiro[3,4-dihydropyrido[3,2-b][1,4]oxazepine-2,1'-cyclopropane]
CID 175697772
3-(cyclopropylmethyl)-5-methyl-5-pyridin-4-ylimidazolidine-2,4-dione
CID 110245816

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 4-(cyclopropylmethyl)-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one (CID 90215454) is 4-(cyclopropylmethyl)-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 4-(cyclopropylmethyl)-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one is CC1(C)Oc2cccnc2N(CC2CC2)C1=O.
What is the InChIKey of 4-(cyclopropylmethyl)-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is YZQTVMXACZMLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-13(2)12(16)15(8-9-5-6-9)11-10(17-13)4-3-7-14-11/h3-4,7,9H,5-6,8H2,1-2H3.
What are the key properties of 4-(cyclopropylmethyl)-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one?
4-(cyclopropylmethyl)-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 232.28 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 90215454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).