ethane;5H-quinoxalino[2,1-b]quinazoline-6,12-dione

C17H15N3O2 — CID 156863175

IUPACethane;5H-quinoxalino[2,1-b]quinazoline-6,12-dione
SMILESCC.O=c1[nH]c2ccccc2n2c(=O)c3ccccc3nc12
InChIInChI=1S/C15H9N3O2.C2H6/c19-14-13-16-10-6-2-1-5-9(10)15(20)18(13)12-8-4-3-7-11(12)17-14;1-2/h1-8H,(H,17,19);1-2H3
InChIKeyLJJNJFSBTQSORY-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.72
Rot. Bonds

About ethane;5H-quinoxalino[2,1-b]quinazoline-6,12-dione

ethane;5H-quinoxalino[2,1-b]quinazoline-6,12-dione (PubChem CID 156863175) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is ethane;5H-quinoxalino[2,1-b]quinazoline-6,12-dione.

Molecular Properties

Compound Nameethane;5H-quinoxalino[2,1-b]quinazoline-6,12-dione
PubChem CID156863175
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Nameethane;5H-quinoxalino[2,1-b]quinazoline-6,12-dione
SMILESCC.O=c1[nH]c2ccccc2n2c(=O)c3ccccc3nc12
InChIInChI=1S/C15H9N3O2.C2H6/c19-14-13-16-10-6-2-1-5-9(10)15(20)18(13)12-8-4-3-7-11(12)17-14;1-2/h1-8H,(H,17,19);1-2H3
InChIKeyLJJNJFSBTQSORY-UHFFFAOYSA-N
XLogP2.72
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

ethane;7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione
CID 90702606
acetic acid;5H-benzimidazolo[1,2-c]quinazolin-6-one;ethane
CID 136503539
2,14-diazahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1(22),4,6,8(24),9,11,13,15,17,19(23),20-undecaen-3-one;ethane
CID 157262786
3-bromoquinazolino[3,2-f]phenanthridin-14-one
CID 164913573
CID 156870601
CID 156870601
4-methyl-6H-benzimidazolo[2,1-b]quinazolin-12-one
CID 21489164
5-methylquinolino[2,1-b]quinazolin-12-one
CID 14666352
methane;propane;7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione;7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,16,18,20,22,26,28,30,32,34(38),35,39-octadecaene-15,24-dione
CID 157101386
(6E)-6-(1,2-dihydroindol-3-ylidene)indolo[2,1-b]quinazolin-12-one
CID 146595441
3-(9-phenylcarbazol-3-yl)quinazolino[3,2-f]phenanthridin-14-one
CID 164913455
8,9-dichloro-6H-benzimidazolo[2,1-b]quinazolin-12-one
CID 21489217
15-amino-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one
CID 3512510

Frequently Asked Questions

What is the IUPAC name of ethane;5H-quinoxalino[2,1-b]quinazoline-6,12-dione?
The IUPAC name of ethane;5H-quinoxalino[2,1-b]quinazoline-6,12-dione (CID 156863175) is ethane;5H-quinoxalino[2,1-b]quinazoline-6,12-dione.
What is the SMILES notation for ethane;5H-quinoxalino[2,1-b]quinazoline-6,12-dione?
The canonical SMILES for ethane;5H-quinoxalino[2,1-b]quinazoline-6,12-dione is CC.O=c1[nH]c2ccccc2n2c(=O)c3ccccc3nc12.
What is the InChIKey of ethane;5H-quinoxalino[2,1-b]quinazoline-6,12-dione?
The InChIKey is LJJNJFSBTQSORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O2.C2H6/c19-14-13-16-10-6-2-1-5-9(10)15(20)18(13)12-8-4-3-7-11(12)17-14;1-2/h1-8H,(H,17,19);1-2H3.
What are the key properties of ethane;5H-quinoxalino[2,1-b]quinazoline-6,12-dione?
ethane;5H-quinoxalino[2,1-b]quinazoline-6,12-dione has a molecular weight of 293.33 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5H-quinoxalino[2,1-b]quinazoline-6,12-dione is sourced from PubChem (CID 156863175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).