4-tert-butylpyrido[4,3-h][1,3]benzoxazin-2-one;ethane

C17H20N2O2 — CID 142227335

IUPAC4-tert-butylpyrido[4,3-h][1,3]benzoxazin-2-one;ethane
SMILESCC.CC(C)(C)c1nc(=O)oc2c1ccc1ccncc12
InChIInChI=1S/C15H14N2O2.C2H6/c1-15(2,3)13-10-5-4-9-6-7-16-8-11(9)12(10)19-14(18)17-13;1-2/h4-8H,1-3H3;1-2H3
InChIKeyKKFSJKVGXBHNIP-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.06
Rot. Bonds

About 4-tert-butylpyrido[4,3-h][1,3]benzoxazin-2-one;ethane

4-tert-butylpyrido[4,3-h][1,3]benzoxazin-2-one;ethane (PubChem CID 142227335) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-tert-butylpyrido[4,3-h][1,3]benzoxazin-2-one;ethane.

Molecular Properties

Compound Name4-tert-butylpyrido[4,3-h][1,3]benzoxazin-2-one;ethane
PubChem CID142227335
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-tert-butylpyrido[4,3-h][1,3]benzoxazin-2-one;ethane
SMILESCC.CC(C)(C)c1nc(=O)oc2c1ccc1ccncc12
InChIInChI=1S/C15H14N2O2.C2H6/c1-15(2,3)13-10-5-4-9-6-7-16-8-11(9)12(10)19-14(18)17-13;1-2/h4-8H,1-3H3;1-2H3
InChIKeyKKFSJKVGXBHNIP-UHFFFAOYSA-N
XLogP4.06
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-tert-butylfuro[3,2-e][1,3]oxazin-2-one
CID 20750324
2,9-phenanthroline
CID 23271029
4-methylpyrido[3,4-e][1,3]oxazin-2-one
CID 142227791
CID 174062437
CID 174062437
pyrido[3,4-f]phthalazine
CID 122577314
9-methyl-10-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-h]isoquinoline
CID 140827720
8,44-diazadodecacyclo[24.24.0.02,23.03,20.04,17.05,14.06,11.029,50.032,49.035,48.038,47.041,46]pentaconta-1(26),2(23),3(20),4(17),5(14),6(11),7,9,12,15,18,21,24,27,29(50),30,32(49),33,35(48),36,38(47),39,41(46),42,44-pentacosaene
CID 122389532
1H-pyrido[4,3-h]quinazoline-2,4-dione
CID 142642114
4-tert-butylpyrido[4,3-d]pyrimidine
CID 58237685
3-(trifluoromethyl)pyrano[3,4-c]pyridin-1-one
CID 18613929
3-isoquinolin-8-ylpentan-3-ol
CID 103142702
1-isoquinolin-8-yl-1-(2-methylphenyl)ethanol
CID 103142671

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylpyrido[4,3-h][1,3]benzoxazin-2-one;ethane?
The IUPAC name of 4-tert-butylpyrido[4,3-h][1,3]benzoxazin-2-one;ethane (CID 142227335) is 4-tert-butylpyrido[4,3-h][1,3]benzoxazin-2-one;ethane.
What is the SMILES notation for 4-tert-butylpyrido[4,3-h][1,3]benzoxazin-2-one;ethane?
The canonical SMILES for 4-tert-butylpyrido[4,3-h][1,3]benzoxazin-2-one;ethane is CC.CC(C)(C)c1nc(=O)oc2c1ccc1ccncc12.
What is the InChIKey of 4-tert-butylpyrido[4,3-h][1,3]benzoxazin-2-one;ethane?
The InChIKey is KKFSJKVGXBHNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2.C2H6/c1-15(2,3)13-10-5-4-9-6-7-16-8-11(9)12(10)19-14(18)17-13;1-2/h4-8H,1-3H3;1-2H3.
What are the key properties of 4-tert-butylpyrido[4,3-h][1,3]benzoxazin-2-one;ethane?
4-tert-butylpyrido[4,3-h][1,3]benzoxazin-2-one;ethane has a molecular weight of 284.36 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylpyrido[4,3-h][1,3]benzoxazin-2-one;ethane is sourced from PubChem (CID 142227335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).