28-quinazolin-2-yl-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene

C36H20N4 — CID 130258471

IUPAC28-quinazolin-2-yl-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene
SMILESc1ccc2nc(-n3c4ccccc4c4cc5c6ccccc6n6c7ccc8ccccc8c7c(c43)c56)ncc2c1
InChIInChI=1S/C36H20N4/c1-3-11-23-21(9-1)17-18-31-32(23)33-34-26(24-12-4-7-15-29(24)39(31)34)19-27-25-13-5-8-16-30(25)40(35(27)33)36-37-20-22-10-2-6-14-28(22)38-36/h1-20H
InChIKeyDKLYXSMLFGLXLM-UHFFFAOYSA-N
MW508.58 g/mol
LogP9.03
Rot. Bonds1

About 28-quinazolin-2-yl-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene

28-quinazolin-2-yl-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene (PubChem CID 130258471) has the molecular formula C36H20N4 and a molecular weight of 508.58 g/mol. Its IUPAC name is 28-quinazolin-2-yl-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene.

Molecular Properties

Compound Name28-quinazolin-2-yl-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene
PubChem CID130258471
Molecular FormulaC36H20N4
Molecular Weight508.58 g/mol
Exact Mass508.17
IUPAC Name28-quinazolin-2-yl-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene
SMILESc1ccc2nc(-n3c4ccccc4c4cc5c6ccccc6n6c7ccc8ccccc8c7c(c43)c56)ncc2c1
InChIInChI=1S/C36H20N4/c1-3-11-23-21(9-1)17-18-31-32(23)33-34-26(24-12-4-7-15-29(24)39(31)34)19-27-25-13-5-8-16-30(25)40(35(27)33)36-37-20-22-10-2-6-14-28(22)38-36/h1-20H
InChIKeyDKLYXSMLFGLXLM-UHFFFAOYSA-N
XLogP9.03
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.58
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 28-quinazolin-2-yl-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene with MolForge

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Related Compounds

9-quinazolin-2-yl-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.021,26]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene
CID 130259833
28-(4-isocyanopyrido[3,2-d]pyrimidin-2-yl)-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene
CID 140799371
17-pyrido[3,2-d]pyrimidin-2-yl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene
CID 130258602
21-(4-phenylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene
CID 130258694
9-phenyl-23-quinazolin-2-yl-9,23-diazahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene
CID 122465142
28-[4-(3-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene
CID 140799331
28-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20,22,24,26-tetradecaene
CID 130259894
3-(4-phenylquinazolin-2-yl)-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene
CID 130259165
28-methyl-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20,22,24,26-tetradecaene
CID 138752081
24-phenyl-3-quinazolin-2-yl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 122465139
28-[2-(3,4-dihydrocarbazol-9-yl)quinazolin-4-yl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene
CID 145198797
28-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20,22,24,26-tetradecaene
CID 130259718

Frequently Asked Questions

What is the IUPAC name of 28-quinazolin-2-yl-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene?
The IUPAC name of 28-quinazolin-2-yl-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene (CID 130258471) is 28-quinazolin-2-yl-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene.
What is the SMILES notation for 28-quinazolin-2-yl-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene?
The canonical SMILES for 28-quinazolin-2-yl-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene is c1ccc2nc(-n3c4ccccc4c4cc5c6ccccc6n6c7ccc8ccccc8c7c(c43)c56)ncc2c1.
What is the InChIKey of 28-quinazolin-2-yl-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene?
The InChIKey is DKLYXSMLFGLXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20N4/c1-3-11-23-21(9-1)17-18-31-32(23)33-34-26(24-12-4-7-15-29(24)39(31)34)19-27-25-13-5-8-16-30(25)40(35(27)33)36-37-20-22-10-2-6-14-28(22)38-36/h1-20H.
What are the key properties of 28-quinazolin-2-yl-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene?
28-quinazolin-2-yl-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene has a molecular weight of 508.58 g/mol, XLogP of 9.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 28-quinazolin-2-yl-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene is sourced from PubChem (CID 130258471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).