6-butyl-4H-[1,4]oxazino[3,2-c]quinoline-3,5-dione

C15H16N2O3 — CID 657764

IUPAC6-butyl-4H-[1,4]oxazino[3,2-c]quinoline-3,5-dione
SMILESCCCCn1c(=O)c2c(c3ccccc31)OCC(=O)N2
InChIInChI=1S/C15H16N2O3/c1-2-3-8-17-11-7-5-4-6-10(11)14-13(15(17)19)16-12(18)9-20-14/h4-7H,2-3,8-9H2,1H3,(H,16,18)
InChIKeyYIKVFJFEHXITDJ-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.13
Rot. Bonds3

About 6-butyl-4H-[1,4]oxazino[3,2-c]quinoline-3,5-dione

6-butyl-4H-[1,4]oxazino[3,2-c]quinoline-3,5-dione (PubChem CID 657764) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 6-butyl-4H-[1,4]oxazino[3,2-c]quinoline-3,5-dione.

Molecular Properties

Compound Name6-butyl-4H-[1,4]oxazino[3,2-c]quinoline-3,5-dione
PubChem CID657764
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name6-butyl-4H-[1,4]oxazino[3,2-c]quinoline-3,5-dione
SMILESCCCCn1c(=O)c2c(c3ccccc31)OCC(=O)N2
InChIInChI=1S/C15H16N2O3/c1-2-3-8-17-11-7-5-4-6-10(11)14-13(15(17)19)16-12(18)9-20-14/h4-7H,2-3,8-9H2,1H3,(H,16,18)
InChIKeyYIKVFJFEHXITDJ-UHFFFAOYSA-N
XLogP2.13
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-3-chloro-4-hydroxyquinolin-2-one
CID 54705930
5-butylbenzo[k]phenanthridin-6-one
CID 46885584
9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
benzene;9-octylcarbazole
CID 175067369
5-butyl-1-methyl-2-sulfanylidene-3H-imidazo[4,5-c]quinolin-4-one
CID 3077038
3-butyl-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione
CID 71495168
1-methyl-5-pentylimidazo[4,5-c]quinolin-4-one
CID 11722662
1-butyl-4-hydroxy-3-pyridin-1-ium-1-ylquinolin-2-one
CID 54689721
9-butylcarbazol-3-ol
CID 140908966
1-butyl-4-(trifluoromethyl)quinolin-2-one
CID 91434703
5-(4-bromobutyl)phenanthridin-6-one
CID 19382417

Frequently Asked Questions

What is the IUPAC name of 6-butyl-4H-[1,4]oxazino[3,2-c]quinoline-3,5-dione?
The IUPAC name of 6-butyl-4H-[1,4]oxazino[3,2-c]quinoline-3,5-dione (CID 657764) is 6-butyl-4H-[1,4]oxazino[3,2-c]quinoline-3,5-dione.
What is the SMILES notation for 6-butyl-4H-[1,4]oxazino[3,2-c]quinoline-3,5-dione?
The canonical SMILES for 6-butyl-4H-[1,4]oxazino[3,2-c]quinoline-3,5-dione is CCCCn1c(=O)c2c(c3ccccc31)OCC(=O)N2.
What is the InChIKey of 6-butyl-4H-[1,4]oxazino[3,2-c]quinoline-3,5-dione?
The InChIKey is YIKVFJFEHXITDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-3-8-17-11-7-5-4-6-10(11)14-13(15(17)19)16-12(18)9-20-14/h4-7H,2-3,8-9H2,1H3,(H,16,18).
What are the key properties of 6-butyl-4H-[1,4]oxazino[3,2-c]quinoline-3,5-dione?
6-butyl-4H-[1,4]oxazino[3,2-c]quinoline-3,5-dione has a molecular weight of 272.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-4H-[1,4]oxazino[3,2-c]quinoline-3,5-dione is sourced from PubChem (CID 657764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).