7,10-diphenyl-3,6,8,10,12-pentazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2,7-triene-5,11-dione

C23H19N5O2 — CID 44513334

IUPAC7,10-diphenyl-3,6,8,10,12-pentazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2,7-triene-5,11-dione
SMILESO=C1CN=C2C3=C(N=C(c4ccccc4)N12)N(c1ccccc1)C(=O)N1CCCC31
InChIInChI=1S/C23H19N5O2/c29-18-14-24-21-19-17-12-7-13-26(17)23(30)27(16-10-5-2-6-11-16)22(19)25-20(28(18)21)15-8-3-1-4-9-15/h1-6,8-11,17H,7,12-14H2
InChIKeyGVNDVULYKUKBJE-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.00
Rot. Bonds2

About 7,10-diphenyl-3,6,8,10,12-pentazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2,7-triene-5,11-dione

7,10-diphenyl-3,6,8,10,12-pentazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2,7-triene-5,11-dione (PubChem CID 44513334) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 7,10-diphenyl-3,6,8,10,12-pentazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2,7-triene-5,11-dione.

Molecular Properties

Compound Name7,10-diphenyl-3,6,8,10,12-pentazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2,7-triene-5,11-dione
PubChem CID44513334
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name7,10-diphenyl-3,6,8,10,12-pentazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2,7-triene-5,11-dione
SMILESO=C1CN=C2C3=C(N=C(c4ccccc4)N12)N(c1ccccc1)C(=O)N1CCCC31
InChIInChI=1S/C23H19N5O2/c29-18-14-24-21-19-17-12-7-13-26(17)23(30)27(16-10-5-2-6-11-16)22(19)25-20(28(18)21)15-8-3-1-4-9-15/h1-6,8-11,17H,7,12-14H2
InChIKeyGVNDVULYKUKBJE-UHFFFAOYSA-N
XLogP3.00
TPSA68.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7,10-diphenyl-3,6,8,10,12-pentazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2,7-triene-5,11-dione with MolForge

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Related Compounds

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CID 135875804
6-Methyl-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydroimidazo[1,2-c]quinazolin-5-one
CID 14955544
1-(1-Methyl-2-oxo-5-pyrrolidin-1-yl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea
CID 10453063
6-Methyl-3-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydroimidazo[1,2-c]quinazolin-5-one
CID 14955558
N-[4-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)butyl]-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]acetamide
CID 53321514
N,N-Bis(3-(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ylideneamino)propyl)acetamide
CID 53325467
11-Benzyl-5-phenyl-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one
CID 166161696
7,10-Diphenyl-3,4,6,8,10,12-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2,7-triene-5,11-dione
CID 44513970
8,11-Diphenyl-3,4,7,9,11,13-hexazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,8-triene-5,12-dione
CID 44513656
N-(3,5-Difluorophenyl)-2-[2-oxo-4-(piperidin-1-YL)-1,2-dihydroquinazolin-1-YL]acetamide
CID 50834538
2-[4-(Cyclopentylamino)-2-oxo-1,2-dihydroquinazolin-1-YL]-N-(3,5-difluorophenyl)acetamide
CID 50834576
N-(5-Fluoro-2-methylphenyl)-2-[2-oxo-4-(piperidin-1-YL)-1,2-dihydroquinazolin-1-YL]acetamide
CID 50834649

Frequently Asked Questions

What is the IUPAC name of 7,10-diphenyl-3,6,8,10,12-pentazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2,7-triene-5,11-dione?
The IUPAC name of 7,10-diphenyl-3,6,8,10,12-pentazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2,7-triene-5,11-dione (CID 44513334) is 7,10-diphenyl-3,6,8,10,12-pentazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2,7-triene-5,11-dione.
What is the SMILES notation for 7,10-diphenyl-3,6,8,10,12-pentazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2,7-triene-5,11-dione?
The canonical SMILES for 7,10-diphenyl-3,6,8,10,12-pentazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2,7-triene-5,11-dione is O=C1CN=C2C3=C(N=C(c4ccccc4)N12)N(c1ccccc1)C(=O)N1CCCC31.
What is the InChIKey of 7,10-diphenyl-3,6,8,10,12-pentazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2,7-triene-5,11-dione?
The InChIKey is GVNDVULYKUKBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c29-18-14-24-21-19-17-12-7-13-26(17)23(30)27(16-10-5-2-6-11-16)22(19)25-20(28(18)21)15-8-3-1-4-9-15/h1-6,8-11,17H,7,12-14H2.
What are the key properties of 7,10-diphenyl-3,6,8,10,12-pentazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2,7-triene-5,11-dione?
7,10-diphenyl-3,6,8,10,12-pentazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2,7-triene-5,11-dione has a molecular weight of 397.44 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-diphenyl-3,6,8,10,12-pentazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2,7-triene-5,11-dione is sourced from PubChem (CID 44513334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).