8-(2-amino-1,3-benzothiazol-6-yl)-1-naphthalen-2-yl-3-propylimidazo[4,5-c]quinolin-2-one

C30H23N5OS — CID 77106931

IUPAC8-(2-amino-1,3-benzothiazol-6-yl)-1-naphthalen-2-yl-3-propylimidazo[4,5-c]quinolin-2-one
SMILESCCCn1c(=O)n(-c2ccc3ccccc3c2)c2c3cc(-c4ccc5nc(N)sc5c4)ccc3ncc21
InChIInChI=1S/C30H23N5OS/c1-2-13-34-26-17-32-24-11-8-20(21-9-12-25-27(16-21)37-29(31)33-25)15-23(24)28(26)35(30(34)36)22-10-7-18-5-3-4-6-19(18)14-22/h3-12,14-17H,2,13H2,1H3,(H2,31,33)
InChIKeyHOFMPTOONZKFSJ-UHFFFAOYSA-N
MW501.62 g/mol
LogP6.76
Rot. Bonds4

About 8-(2-amino-1,3-benzothiazol-6-yl)-1-naphthalen-2-yl-3-propylimidazo[4,5-c]quinolin-2-one

8-(2-amino-1,3-benzothiazol-6-yl)-1-naphthalen-2-yl-3-propylimidazo[4,5-c]quinolin-2-one (PubChem CID 77106931) has the molecular formula C30H23N5OS and a molecular weight of 501.62 g/mol. Its IUPAC name is 8-(2-amino-1,3-benzothiazol-6-yl)-1-naphthalen-2-yl-3-propylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-(2-amino-1,3-benzothiazol-6-yl)-1-naphthalen-2-yl-3-propylimidazo[4,5-c]quinolin-2-one
PubChem CID77106931
Molecular FormulaC30H23N5OS
Molecular Weight501.62 g/mol
Exact Mass501.16
IUPAC Name8-(2-amino-1,3-benzothiazol-6-yl)-1-naphthalen-2-yl-3-propylimidazo[4,5-c]quinolin-2-one
SMILESCCCn1c(=O)n(-c2ccc3ccccc3c2)c2c3cc(-c4ccc5nc(N)sc5c4)ccc3ncc21
InChIInChI=1S/C30H23N5OS/c1-2-13-34-26-17-32-24-11-8-20(21-9-12-25-27(16-21)37-29(31)33-25)15-23(24)28(26)35(30(34)36)22-10-7-18-5-3-4-6-19(18)14-22/h3-12,14-17H,2,13H2,1H3,(H2,31,33)
InChIKeyHOFMPTOONZKFSJ-UHFFFAOYSA-N
XLogP6.76
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.62
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(2-amino-1,3-benzothiazol-6-yl)-1-naphthalen-2-yl-3-propylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-(2-amino-1,3-benzothiazol-6-yl)-1-naphthalen-2-yl-3-propylimidazo[4,5-c]quinolin-2-one (CID 77106931) is 8-(2-amino-1,3-benzothiazol-6-yl)-1-naphthalen-2-yl-3-propylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-(2-amino-1,3-benzothiazol-6-yl)-1-naphthalen-2-yl-3-propylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-(2-amino-1,3-benzothiazol-6-yl)-1-naphthalen-2-yl-3-propylimidazo[4,5-c]quinolin-2-one is CCCn1c(=O)n(-c2ccc3ccccc3c2)c2c3cc(-c4ccc5nc(N)sc5c4)ccc3ncc21.
What is the InChIKey of 8-(2-amino-1,3-benzothiazol-6-yl)-1-naphthalen-2-yl-3-propylimidazo[4,5-c]quinolin-2-one?
The InChIKey is HOFMPTOONZKFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N5OS/c1-2-13-34-26-17-32-24-11-8-20(21-9-12-25-27(16-21)37-29(31)33-25)15-23(24)28(26)35(30(34)36)22-10-7-18-5-3-4-6-19(18)14-22/h3-12,14-17H,2,13H2,1H3,(H2,31,33).
What are the key properties of 8-(2-amino-1,3-benzothiazol-6-yl)-1-naphthalen-2-yl-3-propylimidazo[4,5-c]quinolin-2-one?
8-(2-amino-1,3-benzothiazol-6-yl)-1-naphthalen-2-yl-3-propylimidazo[4,5-c]quinolin-2-one has a molecular weight of 501.62 g/mol, XLogP of 6.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-amino-1,3-benzothiazol-6-yl)-1-naphthalen-2-yl-3-propylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 77106931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).