3-(3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaen-3-yl)quinoxaline-2-carbonitrile

C37H19N5 — CID 130266332

IUPAC3-(3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaen-3-yl)quinoxaline-2-carbonitrile
SMILESN#Cc1nc2ccccc2nc1-n1c2c3ccccc3ccc2c2cc3c4ccccc4n4c5ccccc5c(c21)c34
InChIInChI=1S/C37H19N5/c38-20-30-37(40-29-14-6-5-13-28(29)39-30)42-34-22-10-2-1-9-21(22)17-18-24(34)27-19-26-23-11-3-7-15-31(23)41-32-16-8-4-12-25(32)33(35(26)41)36(27)42/h1-19H
InChIKeyCQKKWKSNIMZCAA-UHFFFAOYSA-N
MW533.59 g/mol
LogP8.90
Rot. Bonds1

About 3-(3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaen-3-yl)quinoxaline-2-carbonitrile

3-(3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaen-3-yl)quinoxaline-2-carbonitrile (PubChem CID 130266332) has the molecular formula C37H19N5 and a molecular weight of 533.59 g/mol. Its IUPAC name is 3-(3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaen-3-yl)quinoxaline-2-carbonitrile.

Molecular Properties

Compound Name3-(3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaen-3-yl)quinoxaline-2-carbonitrile
PubChem CID130266332
Molecular FormulaC37H19N5
Molecular Weight533.59 g/mol
Exact Mass533.16
IUPAC Name3-(3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaen-3-yl)quinoxaline-2-carbonitrile
SMILESN#Cc1nc2ccccc2nc1-n1c2c3ccccc3ccc2c2cc3c4ccccc4n4c5ccccc5c(c21)c34
InChIInChI=1S/C37H19N5/c38-20-30-37(40-29-14-6-5-13-28(29)39-30)42-34-22-10-2-1-9-21(22)17-18-24(34)27-19-26-23-11-3-7-15-31(23)41-32-16-8-4-12-25(32)33(35(26)41)36(27)42/h1-19H
InChIKeyCQKKWKSNIMZCAA-UHFFFAOYSA-N
XLogP8.90
TPSA58.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.59
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaen-3-yl)quinoxaline-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)quinoxaline-2-carbonitrile
CID 130266193
3-(4-carbazol-9-ylphthalazin-1-yl)-3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene
CID 130258446
3-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),3,5,7,11,13,15,17,20,22,24,26,28-tetradecaen-9-yl)quinoxaline-2-carbonitrile
CID 130266533
3-[2-(4-phenylphenyl)quinazolin-4-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene
CID 130258381
3-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene
CID 130258443
3-(3-isocyanoquinoxalin-2-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.021,26]triaconta-1(30),2(10),4,6,8,11,13,15,17,20(29),21,23,25,27-tetradecaene
CID 140799255
4-[3-(3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaen-3-yl)-7-[3-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)-3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1,4(13),5,7,9,11,14,16(30),17(22),18,20,24,26,28-tetradecaen-19-yl]quinoxalin-2-yl]benzonitrile
CID 138709198
3-(4-pyrido[3,4-b]indol-9-ylphenyl)-3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene
CID 130258359
2-carbazol-9-yl-4-(3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaen-3-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 130259884
3-[1-(4-phenylphenyl)benzo[f]quinazolin-3-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene
CID 130259115
3-(3-pyrido[3,4-b]indol-9-ylphenyl)-3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene
CID 130259868
3-[2-(9-phenylcarbazol-3-yl)quinolin-3-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene
CID 130258445

Frequently Asked Questions

What is the IUPAC name of 3-(3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaen-3-yl)quinoxaline-2-carbonitrile?
The IUPAC name of 3-(3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaen-3-yl)quinoxaline-2-carbonitrile (CID 130266332) is 3-(3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaen-3-yl)quinoxaline-2-carbonitrile.
What is the SMILES notation for 3-(3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaen-3-yl)quinoxaline-2-carbonitrile?
The canonical SMILES for 3-(3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaen-3-yl)quinoxaline-2-carbonitrile is N#Cc1nc2ccccc2nc1-n1c2c3ccccc3ccc2c2cc3c4ccccc4n4c5ccccc5c(c21)c34.
What is the InChIKey of 3-(3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaen-3-yl)quinoxaline-2-carbonitrile?
The InChIKey is CQKKWKSNIMZCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H19N5/c38-20-30-37(40-29-14-6-5-13-28(29)39-30)42-34-22-10-2-1-9-21(22)17-18-24(34)27-19-26-23-11-3-7-15-31(23)41-32-16-8-4-12-25(32)33(35(26)41)36(27)42/h1-19H.
What are the key properties of 3-(3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaen-3-yl)quinoxaline-2-carbonitrile?
3-(3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaen-3-yl)quinoxaline-2-carbonitrile has a molecular weight of 533.59 g/mol, XLogP of 8.90, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaen-3-yl)quinoxaline-2-carbonitrile is sourced from PubChem (CID 130266332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).