16-methyl-9-thia-7,14,16,23-tetrazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3(8),4,6,11,14,17,19,21-decaene

C19H12N4S — CID 155082216

IUPAC16-methyl-9-thia-7,14,16,23-tetrazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3(8),4,6,11,14,17,19,21-decaene
SMILESCn1c2ccccc2n2c3c(ccc4sc5ncccc5c43)nc12
InChIInChI=1S/C19H12N4S/c1-22-13-6-2-3-7-14(13)23-17-12(21-19(22)23)8-9-15-16(17)11-5-4-10-20-18(11)24-15/h2-10H,1H3
InChIKeyUVTIKKZYWPQKMS-UHFFFAOYSA-N
MW328.40 g/mol
LogP4.74
Rot. Bonds

About 16-methyl-9-thia-7,14,16,23-tetrazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3(8),4,6,11,14,17,19,21-decaene

16-methyl-9-thia-7,14,16,23-tetrazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3(8),4,6,11,14,17,19,21-decaene (PubChem CID 155082216) has the molecular formula C19H12N4S and a molecular weight of 328.40 g/mol. Its IUPAC name is 16-methyl-9-thia-7,14,16,23-tetrazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3(8),4,6,11,14,17,19,21-decaene.

Molecular Properties

Compound Name16-methyl-9-thia-7,14,16,23-tetrazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3(8),4,6,11,14,17,19,21-decaene
PubChem CID155082216
Molecular FormulaC19H12N4S
Molecular Weight328.40 g/mol
Exact Mass328.08
IUPAC Name16-methyl-9-thia-7,14,16,23-tetrazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3(8),4,6,11,14,17,19,21-decaene
SMILESCn1c2ccccc2n2c3c(ccc4sc5ncccc5c43)nc12
InChIInChI=1S/C19H12N4S/c1-22-13-6-2-3-7-14(13)23-17-12(21-19(22)23)8-9-15-16(17)11-5-4-10-20-18(11)24-15/h2-10H,1H3
InChIKeyUVTIKKZYWPQKMS-UHFFFAOYSA-N
XLogP4.74
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 16-methyl-9-thia-7,14,16,23-tetrazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3(8),4,6,11,14,17,19,21-decaene with MolForge

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Related Compounds

14-methyl-9-thia-7,14,16,23-tetrazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3(8),4,6,11,15,17,19,21-decaene
CID 155082136
16-methyl-3-thia-6,14,16,23-tetrazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4(9),5,7,11,14,17,19,21-decaene
CID 155082129
3,16-dimethyl-3,14,16,23-tetrazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4,6,8,11,14,17,19,21-decaene
CID 155082278
23-methyl-3-oxa-11,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1,4,6,8,10,12,15,17,19,21-decaene;23-methyl-9-oxa-11,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1,3,5,7,10,12,15,17,19,21-decaene;16-methyl-3-thia-5,14,16,23-tetrazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4(9),5,7,11,14,17,19,21-decaene;21-methyl-9-thia-7,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3(8),4,6,11,15,17,19,22-decaene;21-methyl-10-thia-8,14,21,23-tetrazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4(9),5,7,11,15,17,19,22-decaene;16-methyl-9-thia-14,16,23-triazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3,5,7,11,14,17,19,21-decaene;16-methyl-10-thia-14,16,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,14,17,19,21-decaene
CID 157195747
23-methyl-9-thia-14,21,23-triazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene
CID 155082026
9-thia-7-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene
CID 134850479
14-methyl-3-thia-6,14,16,23-tetrazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4(9),5,7,11,15,17,19,21-decaene
CID 155082226
14-triphenylen-2-yl-9-thia-7,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 138639783
20-(9,9'-spirobi[fluorene]-2-yl)-9-thia-7,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 138639905
5-methylbenzimidazolo[2,1-b]quinazolin-12-one
CID 13458566
24-(4-phenylquinazolin-2-yl)-3-thia-5,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene
CID 134361533
18-(4-phenylquinazolin-2-yl)-9,27-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,21,23,25-dodecaene
CID 138640060

Frequently Asked Questions

What is the IUPAC name of 16-methyl-9-thia-7,14,16,23-tetrazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3(8),4,6,11,14,17,19,21-decaene?
The IUPAC name of 16-methyl-9-thia-7,14,16,23-tetrazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3(8),4,6,11,14,17,19,21-decaene (CID 155082216) is 16-methyl-9-thia-7,14,16,23-tetrazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3(8),4,6,11,14,17,19,21-decaene.
What is the SMILES notation for 16-methyl-9-thia-7,14,16,23-tetrazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3(8),4,6,11,14,17,19,21-decaene?
The canonical SMILES for 16-methyl-9-thia-7,14,16,23-tetrazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3(8),4,6,11,14,17,19,21-decaene is Cn1c2ccccc2n2c3c(ccc4sc5ncccc5c43)nc12.
What is the InChIKey of 16-methyl-9-thia-7,14,16,23-tetrazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3(8),4,6,11,14,17,19,21-decaene?
The InChIKey is UVTIKKZYWPQKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4S/c1-22-13-6-2-3-7-14(13)23-17-12(21-19(22)23)8-9-15-16(17)11-5-4-10-20-18(11)24-15/h2-10H,1H3.
What are the key properties of 16-methyl-9-thia-7,14,16,23-tetrazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3(8),4,6,11,14,17,19,21-decaene?
16-methyl-9-thia-7,14,16,23-tetrazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3(8),4,6,11,14,17,19,21-decaene has a molecular weight of 328.40 g/mol, XLogP of 4.74, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methyl-9-thia-7,14,16,23-tetrazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3(8),4,6,11,14,17,19,21-decaene is sourced from PubChem (CID 155082216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).