1-carbazol-9-yl-[1,3]benzothiazolo[2,3-b]quinazolin-12-one

C26H15N3OS — CID 170777378

IUPAC1-carbazol-9-yl-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
SMILESO=c1c2c(-n3c4ccccc4c4ccccc43)cccc2nc2sc3ccccc3n12
InChIInChI=1S/C26H15N3OS/c30-25-24-18(27-26-29(25)21-13-5-6-15-23(21)31-26)10-7-14-22(24)28-19-11-3-1-8-16(19)17-9-2-4-12-20(17)28/h1-15H
InChIKeyJISVPISINQCLQK-UHFFFAOYSA-N
MW417.49 g/mol
LogP6.16
Rot. Bonds1

About 1-carbazol-9-yl-[1,3]benzothiazolo[2,3-b]quinazolin-12-one

1-carbazol-9-yl-[1,3]benzothiazolo[2,3-b]quinazolin-12-one (PubChem CID 170777378) has the molecular formula C26H15N3OS and a molecular weight of 417.49 g/mol. Its IUPAC name is 1-carbazol-9-yl-[1,3]benzothiazolo[2,3-b]quinazolin-12-one.

Molecular Properties

Compound Name1-carbazol-9-yl-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
PubChem CID170777378
Molecular FormulaC26H15N3OS
Molecular Weight417.49 g/mol
Exact Mass417.09
IUPAC Name1-carbazol-9-yl-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
SMILESO=c1c2c(-n3c4ccccc4c4ccccc43)cccc2nc2sc3ccccc3n12
InChIInChI=1S/C26H15N3OS/c30-25-24-18(27-26-29(25)21-13-5-6-15-23(21)31-26)10-7-14-22(24)28-19-11-3-1-8-16(19)17-9-2-4-12-20(17)28/h1-15H
InChIKeyJISVPISINQCLQK-UHFFFAOYSA-N
XLogP6.16
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.49
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

17-thia-2,7,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaen-9-one
CID 10060817
2-chloro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 15134484
3-phenyl-16-thia-3,14,24-triazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,17,19,21-decaen-23-one
CID 156870576
2-(3-phenyl-N-(3-phenylphenyl)anilino)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 163394880
2-(3-phenyl-N-triphenylen-2-ylanilino)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 163395008
8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 163394931
16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-thia-3,10,16-triazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(13),4,6,8,10,14,17,19,21,23-decaen-2-one
CID 156870580
13-(1,3-benzothiazol-2-yl)-14-bromo-8-thia-1,10,12,13-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11,14-hexaen-16-one
CID 10884919
14-amino-13-(1,3-benzothiazol-2-yl)-8-thia-1,10,12,13-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11,14-hexaen-16-one
CID 11058239
15,17-di(carbazol-9-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one
CID 121248140
10,16-dithia-2,12-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),4,6,8,11,14,17,19,21,23-decaen-3-one
CID 156870697
2-(2-methylphenyl)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 163394893

Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-[1,3]benzothiazolo[2,3-b]quinazolin-12-one?
The IUPAC name of 1-carbazol-9-yl-[1,3]benzothiazolo[2,3-b]quinazolin-12-one (CID 170777378) is 1-carbazol-9-yl-[1,3]benzothiazolo[2,3-b]quinazolin-12-one.
What is the SMILES notation for 1-carbazol-9-yl-[1,3]benzothiazolo[2,3-b]quinazolin-12-one?
The canonical SMILES for 1-carbazol-9-yl-[1,3]benzothiazolo[2,3-b]quinazolin-12-one is O=c1c2c(-n3c4ccccc4c4ccccc43)cccc2nc2sc3ccccc3n12.
What is the InChIKey of 1-carbazol-9-yl-[1,3]benzothiazolo[2,3-b]quinazolin-12-one?
The InChIKey is JISVPISINQCLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15N3OS/c30-25-24-18(27-26-29(25)21-13-5-6-15-23(21)31-26)10-7-14-22(24)28-19-11-3-1-8-16(19)17-9-2-4-12-20(17)28/h1-15H.
What are the key properties of 1-carbazol-9-yl-[1,3]benzothiazolo[2,3-b]quinazolin-12-one?
1-carbazol-9-yl-[1,3]benzothiazolo[2,3-b]quinazolin-12-one has a molecular weight of 417.49 g/mol, XLogP of 6.16, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-[1,3]benzothiazolo[2,3-b]quinazolin-12-one is sourced from PubChem (CID 170777378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).