6-propan-2-yl-4H-1,4-benzoxazin-3-one;7-propan-2-yl-2,3-dihydro-1H-quinolin-4-one

C23H28N2O3 — CID 170791717

IUPAC6-propan-2-yl-4H-1,4-benzoxazin-3-one;7-propan-2-yl-2,3-dihydro-1H-quinolin-4-one
SMILESCC(C)c1ccc2c(c1)NC(=O)CO2.CC(C)c1ccc2c(c1)NCCC2=O
InChIInChI=1S/C12H15NO.C11H13NO2/c1-8(2)9-3-4-10-11(7-9)13-6-5-12(10)14;1-7(2)8-3-4-10-9(5-8)12-11(13)6-14-10/h3-4,7-8,13H,5-6H2,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13)
InChIKeyGBLUWOUTPKPFKC-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.95
Rot. Bonds2

About 6-propan-2-yl-4H-1,4-benzoxazin-3-one;7-propan-2-yl-2,3-dihydro-1H-quinolin-4-one

6-propan-2-yl-4H-1,4-benzoxazin-3-one;7-propan-2-yl-2,3-dihydro-1H-quinolin-4-one (PubChem CID 170791717) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 6-propan-2-yl-4H-1,4-benzoxazin-3-one;7-propan-2-yl-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name6-propan-2-yl-4H-1,4-benzoxazin-3-one;7-propan-2-yl-2,3-dihydro-1H-quinolin-4-one
PubChem CID170791717
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name6-propan-2-yl-4H-1,4-benzoxazin-3-one;7-propan-2-yl-2,3-dihydro-1H-quinolin-4-one
SMILESCC(C)c1ccc2c(c1)NC(=O)CO2.CC(C)c1ccc2c(c1)NCCC2=O
InChIInChI=1S/C12H15NO.C11H13NO2/c1-8(2)9-3-4-10-11(7-9)13-6-5-12(10)14;1-7(2)8-3-4-10-9(5-8)12-11(13)6-14-10/h3-4,7-8,13H,5-6H2,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13)
InChIKeyGBLUWOUTPKPFKC-UHFFFAOYSA-N
XLogP4.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-propan-2-yl-4H-1,4-benzoxazin-3-one;7-propan-2-yl-2,3-dihydro-1H-quinolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one
CID 47003494
6-[dimethylamino(hydroxy)methyl]-4H-1,4-benzoxazin-3-one
CID 116909589
6-(1-bromo-2-methylpropyl)-4H-1,4-benzoxazin-3-one
CID 61097770
6-(1-chloro-3-methylbutyl)-4H-1,4-benzoxazin-3-one
CID 61085016
6-[chloro(dimethylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 116915239
6-(1-chloro-2-methylbutyl)-4H-1,4-benzoxazin-3-one
CID 61085852
6-[1-(ethylamino)-2-methylbutyl]-4H-1,4-benzoxazin-3-one
CID 43492901
6-[2-methyl-1-(propylamino)propyl]-4H-1,4-benzoxazin-3-one
CID 43497613
6-[amino(bromo)methyl]-4H-1,4-benzoxazin-3-one
CID 116947633
6-[1-(but-3-yn-2-ylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 114415203
6-[1-(cyclopentylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 43200721
2-(methylamino)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetaldehyde
CID 116954205

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-4H-1,4-benzoxazin-3-one;7-propan-2-yl-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of 6-propan-2-yl-4H-1,4-benzoxazin-3-one;7-propan-2-yl-2,3-dihydro-1H-quinolin-4-one (CID 170791717) is 6-propan-2-yl-4H-1,4-benzoxazin-3-one;7-propan-2-yl-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for 6-propan-2-yl-4H-1,4-benzoxazin-3-one;7-propan-2-yl-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for 6-propan-2-yl-4H-1,4-benzoxazin-3-one;7-propan-2-yl-2,3-dihydro-1H-quinolin-4-one is CC(C)c1ccc2c(c1)NC(=O)CO2.CC(C)c1ccc2c(c1)NCCC2=O.
What is the InChIKey of 6-propan-2-yl-4H-1,4-benzoxazin-3-one;7-propan-2-yl-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is GBLUWOUTPKPFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.C11H13NO2/c1-8(2)9-3-4-10-11(7-9)13-6-5-12(10)14;1-7(2)8-3-4-10-9(5-8)12-11(13)6-14-10/h3-4,7-8,13H,5-6H2,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13).
What are the key properties of 6-propan-2-yl-4H-1,4-benzoxazin-3-one;7-propan-2-yl-2,3-dihydro-1H-quinolin-4-one?
6-propan-2-yl-4H-1,4-benzoxazin-3-one;7-propan-2-yl-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 380.49 g/mol, XLogP of 4.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-4H-1,4-benzoxazin-3-one;7-propan-2-yl-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 170791717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).