10-(6H-indolo[2,3-b]quinolin-8-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

C33H19N3 — CID 146328811

IUPAC10-(6H-indolo[2,3-b]quinolin-8-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
SMILESc1ccc2nc3[nH]c4cc(-c5cc6c7ccccc7n7c8ccccc8c(c5)c67)ccc4c3cc2c1
InChIInChI=1S/C33H19N3/c1-4-10-28-20(7-1)15-27-22-14-13-19(18-29(22)35-33(27)34-28)21-16-25-23-8-2-5-11-30(23)36-31-12-6-3-9-24(31)26(17-21)32(25)36/h1-18H,(H,34,35)
InChIKeyPSNZXAMJMPPSRJ-UHFFFAOYSA-N
MW457.54 g/mol
LogP8.69
Rot. Bonds1

About 10-(6H-indolo[2,3-b]quinolin-8-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

10-(6H-indolo[2,3-b]quinolin-8-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (PubChem CID 146328811) has the molecular formula C33H19N3 and a molecular weight of 457.54 g/mol. Its IUPAC name is 10-(6H-indolo[2,3-b]quinolin-8-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.

Molecular Properties

Compound Name10-(6H-indolo[2,3-b]quinolin-8-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
PubChem CID146328811
Molecular FormulaC33H19N3
Molecular Weight457.54 g/mol
Exact Mass457.16
IUPAC Name10-(6H-indolo[2,3-b]quinolin-8-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
SMILESc1ccc2nc3[nH]c4cc(-c5cc6c7ccccc7n7c8ccccc8c(c5)c67)ccc4c3cc2c1
InChIInChI=1S/C33H19N3/c1-4-10-28-20(7-1)15-27-22-14-13-19(18-29(22)35-33(27)34-28)21-16-25-23-8-2-5-11-30(23)36-31-12-6-3-9-24(31)26(17-21)32(25)36/h1-18H,(H,34,35)
InChIKeyPSNZXAMJMPPSRJ-UHFFFAOYSA-N
XLogP8.69
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.54
LogP ≤ 58.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 10-(6H-indolo[2,3-b]quinolin-8-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene with MolForge

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Related Compounds

10-triphenylen-2-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 152828281
10-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118517569
5,10-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 162740169
11,23-di(triphenylen-2-yl)-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9(26),10,12,15,17,19,21(25),22-dodecaene
CID 171595238
10-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 121286300
15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.07,12.020,25.026,30]triaconta-1(29),2,4(16),5,7,9,11,13,17,20,22,24,26(30),27-tetradecaene
CID 166921790
14-(9-phenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaene
CID 126577980
N,N-diphenyl-3-(3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaen-21-yl)aniline
CID 126577865
3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 138747385
12,29-diazaoctacyclo[17.10.2.02,11.04,9.012,31.013,18.022,30.023,28]hentriaconta-1(29),2,4,6,8,10,13,15,17,19(31),20,22(30),23,25,27-pentadecaene
CID 170235573
15-dibenzofuran-3-yl-3-oxa-19,21-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13(18),14,16,20,22,24,26,28-tetradecaene
CID 118615689
14-(4-carbazol-9-ylphenyl)-3,10,18-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene
CID 71230261

Frequently Asked Questions

What is the IUPAC name of 10-(6H-indolo[2,3-b]quinolin-8-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
The IUPAC name of 10-(6H-indolo[2,3-b]quinolin-8-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (CID 146328811) is 10-(6H-indolo[2,3-b]quinolin-8-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.
What is the SMILES notation for 10-(6H-indolo[2,3-b]quinolin-8-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
The canonical SMILES for 10-(6H-indolo[2,3-b]quinolin-8-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is c1ccc2nc3[nH]c4cc(-c5cc6c7ccccc7n7c8ccccc8c(c5)c67)ccc4c3cc2c1.
What is the InChIKey of 10-(6H-indolo[2,3-b]quinolin-8-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
The InChIKey is PSNZXAMJMPPSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H19N3/c1-4-10-28-20(7-1)15-27-22-14-13-19(18-29(22)35-33(27)34-28)21-16-25-23-8-2-5-11-30(23)36-31-12-6-3-9-24(31)26(17-21)32(25)36/h1-18H,(H,34,35).
What are the key properties of 10-(6H-indolo[2,3-b]quinolin-8-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
10-(6H-indolo[2,3-b]quinolin-8-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene has a molecular weight of 457.54 g/mol, XLogP of 8.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(6H-indolo[2,3-b]quinolin-8-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 146328811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).