6-(4-propan-2-ylphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one

C16H16N2O2 — CID 117001056

IUPAC6-(4-propan-2-ylphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCC(C)c1ccc(-c2ccc3c(n2)NC(=O)CO3)cc1
InChIInChI=1S/C16H16N2O2/c1-10(2)11-3-5-12(6-4-11)13-7-8-14-16(17-13)18-15(19)9-20-14/h3-8,10H,9H2,1-2H3,(H,17,18,19)
InChIKeyRBZAUVCTWQMBHT-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.20
Rot. Bonds2

About 6-(4-propan-2-ylphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-(4-propan-2-ylphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 117001056) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-(4-propan-2-ylphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-(4-propan-2-ylphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID117001056
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name6-(4-propan-2-ylphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCC(C)c1ccc(-c2ccc3c(n2)NC(=O)CO3)cc1
InChIInChI=1S/C16H16N2O2/c1-10(2)11-3-5-12(6-4-11)13-7-8-14-16(17-13)18-15(19)9-20-14/h3-8,10H,9H2,1-2H3,(H,17,18,19)
InChIKeyRBZAUVCTWQMBHT-UHFFFAOYSA-N
XLogP3.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-chlorophenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 117001049
6-(2-fluorophenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 117001046
6-ethenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 118798842
6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one
CID 47003494
6-[6-(4-chlorophenyl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one
CID 86093145
6-(2-oxopyrrolidin-1-yl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 144568295
6-(1-chloro-2-methylbutyl)-4H-1,4-benzoxazin-3-one
CID 61085852
6-(1-bromo-2-methylpropyl)-4H-1,4-benzoxazin-3-one
CID 61097770
N,3-dioxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide
CID 143404652
6-propan-2-yl-4H-1,4-benzoxazin-3-one;7-propan-2-yl-2,3-dihydro-1H-quinolin-4-one
CID 170791717
6-[chloro-(4-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 61084415
6-[1-(but-3-yn-2-ylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 114415203

Frequently Asked Questions

What is the IUPAC name of 6-(4-propan-2-ylphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-(4-propan-2-ylphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 117001056) is 6-(4-propan-2-ylphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-(4-propan-2-ylphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-(4-propan-2-ylphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one is CC(C)c1ccc(-c2ccc3c(n2)NC(=O)CO3)cc1.
What is the InChIKey of 6-(4-propan-2-ylphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is RBZAUVCTWQMBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-10(2)11-3-5-12(6-4-11)13-7-8-14-16(17-13)18-15(19)9-20-14/h3-8,10H,9H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(4-propan-2-ylphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-(4-propan-2-ylphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 268.32 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propan-2-ylphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 117001056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).