15-methyl-5-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide

C37H23N3O2S — CID 122486274

IUPAC15-methyl-5-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide
SMILESCc1nc2cccc3c2n1-c1ccc(-c2c4ccccc4c(-c4cccc5cccnc45)c4ccccc24)cc1S3(=O)=O
InChIInChI=1S/C37H23N3O2S/c1-22-39-30-16-7-17-32-37(30)40(22)31-19-18-24(21-33(31)43(32,41)42)34-25-11-2-4-13-27(25)35(28-14-5-3-12-26(28)34)29-15-6-9-23-10-8-20-38-36(23)29/h2-21H,1H3
InChIKeyFWGCCNAWLYMIHO-UHFFFAOYSA-N
MW573.68 g/mol
LogP8.67
Rot. Bonds2

About 15-methyl-5-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide

15-methyl-5-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide (PubChem CID 122486274) has the molecular formula C37H23N3O2S and a molecular weight of 573.68 g/mol. Its IUPAC name is 15-methyl-5-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide.

Molecular Properties

Compound Name15-methyl-5-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide
PubChem CID122486274
Molecular FormulaC37H23N3O2S
Molecular Weight573.68 g/mol
Exact Mass573.15
IUPAC Name15-methyl-5-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide
SMILESCc1nc2cccc3c2n1-c1ccc(-c2c4ccccc4c(-c4cccc5cccnc45)c4ccccc24)cc1S3(=O)=O
InChIInChI=1S/C37H23N3O2S/c1-22-39-30-16-7-17-32-37(30)40(22)31-19-18-24(21-33(31)43(32,41)42)34-25-11-2-4-13-27(25)35(28-14-5-3-12-26(28)34)29-15-6-9-23-10-8-20-38-36(23)29/h2-21H,1H3
InChIKeyFWGCCNAWLYMIHO-UHFFFAOYSA-N
XLogP8.67
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.68
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 15-methyl-5-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide?
The IUPAC name of 15-methyl-5-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide (CID 122486274) is 15-methyl-5-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide.
What is the SMILES notation for 15-methyl-5-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide?
The canonical SMILES for 15-methyl-5-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide is Cc1nc2cccc3c2n1-c1ccc(-c2c4ccccc4c(-c4cccc5cccnc45)c4ccccc24)cc1S3(=O)=O.
What is the InChIKey of 15-methyl-5-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide?
The InChIKey is FWGCCNAWLYMIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3O2S/c1-22-39-30-16-7-17-32-37(30)40(22)31-19-18-24(21-33(31)43(32,41)42)34-25-11-2-4-13-27(25)35(28-14-5-3-12-26(28)34)29-15-6-9-23-10-8-20-38-36(23)29/h2-21H,1H3.
What are the key properties of 15-methyl-5-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide?
15-methyl-5-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide has a molecular weight of 573.68 g/mol, XLogP of 8.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-5-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide is sourced from PubChem (CID 122486274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).