15-ethyl-10-(3-phenylquinoxalin-2-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene

C29H20N4O — CID 122469482

IUPAC15-ethyl-10-(3-phenylquinoxalin-2-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
SMILESCCc1nc2ccc(-c3nc4ccccc4nc3-c3ccccc3)c3c2n1-c1ccccc1O3
InChIInChI=1S/C29H20N4O/c1-2-25-30-22-17-16-19(29-28(22)33(25)23-14-8-9-15-24(23)34-29)27-26(18-10-4-3-5-11-18)31-20-12-6-7-13-21(20)32-27/h3-17H,2H2,1H3
InChIKeyLBFWKPYCGUNGPV-UHFFFAOYSA-N
MW440.51 g/mol
LogP6.97
Rot. Bonds3

About 15-ethyl-10-(3-phenylquinoxalin-2-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene

15-ethyl-10-(3-phenylquinoxalin-2-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene (PubChem CID 122469482) has the molecular formula C29H20N4O and a molecular weight of 440.51 g/mol. Its IUPAC name is 15-ethyl-10-(3-phenylquinoxalin-2-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene.

Molecular Properties

Compound Name15-ethyl-10-(3-phenylquinoxalin-2-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
PubChem CID122469482
Molecular FormulaC29H20N4O
Molecular Weight440.51 g/mol
Exact Mass440.16
IUPAC Name15-ethyl-10-(3-phenylquinoxalin-2-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
SMILESCCc1nc2ccc(-c3nc4ccccc4nc3-c3ccccc3)c3c2n1-c1ccccc1O3
InChIInChI=1S/C29H20N4O/c1-2-25-30-22-17-16-19(29-28(22)33(25)23-14-8-9-15-24(23)34-29)27-26(18-10-4-3-5-11-18)31-20-12-6-7-13-21(20)32-27/h3-17H,2H2,1H3
InChIKeyLBFWKPYCGUNGPV-UHFFFAOYSA-N
XLogP6.97
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.51
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 15-ethyl-10-(3-phenylquinoxalin-2-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene with MolForge

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Related Compounds

15-ethyl-10-phenyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 122469470
15-ethyl-11-phenyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 122469489
15-ethyl-4-phenyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122469416
15-ethyl-4-[10-(3-phenylphenyl)anthracen-9-yl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122469378
11-(benzimidazolo[1,2-c]quinazolin-6-yl)-15-ethyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 122469501
15-ethyl-11-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 122469500
15-ethyl-5-pyridin-4-yl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122469250
15-ethyl-4-(10-pyridin-3-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122469389
15-ethyl-5-(10-naphthalen-2-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122469189
5-carbazol-9-yl-15-ethyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122469284
15-ethyl-3-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 122469455
5-(4-carbazol-9-ylphenyl)-15-ethyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122469254

Frequently Asked Questions

What is the IUPAC name of 15-ethyl-10-(3-phenylquinoxalin-2-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?
The IUPAC name of 15-ethyl-10-(3-phenylquinoxalin-2-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene (CID 122469482) is 15-ethyl-10-(3-phenylquinoxalin-2-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene.
What is the SMILES notation for 15-ethyl-10-(3-phenylquinoxalin-2-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?
The canonical SMILES for 15-ethyl-10-(3-phenylquinoxalin-2-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene is CCc1nc2ccc(-c3nc4ccccc4nc3-c3ccccc3)c3c2n1-c1ccccc1O3.
What is the InChIKey of 15-ethyl-10-(3-phenylquinoxalin-2-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?
The InChIKey is LBFWKPYCGUNGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N4O/c1-2-25-30-22-17-16-19(29-28(22)33(25)23-14-8-9-15-24(23)34-29)27-26(18-10-4-3-5-11-18)31-20-12-6-7-13-21(20)32-27/h3-17H,2H2,1H3.
What are the key properties of 15-ethyl-10-(3-phenylquinoxalin-2-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?
15-ethyl-10-(3-phenylquinoxalin-2-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene has a molecular weight of 440.51 g/mol, XLogP of 6.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-ethyl-10-(3-phenylquinoxalin-2-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene is sourced from PubChem (CID 122469482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).