(3-quinolin-8-ylsulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl) carbamate

C17H12N4O2S — CID 68888970

IUPAC(3-quinolin-8-ylsulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl) carbamate
SMILESNC(=O)Oc1[nH]c2cccnc2c1Sc1cccc2cccnc12
InChIInChI=1S/C17H12N4O2S/c18-17(22)23-16-15(14-11(21-16)6-3-9-20-14)24-12-7-1-4-10-5-2-8-19-13(10)12/h1-9,21H,(H2,18,22)
InChIKeyWPOPGLWCZYVKPX-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.72
Rot. Bonds3

About (3-quinolin-8-ylsulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl) carbamate

(3-quinolin-8-ylsulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl) carbamate (PubChem CID 68888970) has the molecular formula C17H12N4O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is (3-quinolin-8-ylsulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl) carbamate.

Molecular Properties

Compound Name(3-quinolin-8-ylsulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl) carbamate
PubChem CID68888970
Molecular FormulaC17H12N4O2S
Molecular Weight336.38 g/mol
Exact Mass336.07
IUPAC Name(3-quinolin-8-ylsulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl) carbamate
SMILESNC(=O)Oc1[nH]c2cccnc2c1Sc1cccc2cccnc12
InChIInChI=1S/C17H12N4O2S/c18-17(22)23-16-15(14-11(21-16)6-3-9-20-14)24-12-7-1-4-10-5-2-8-19-13(10)12/h1-9,21H,(H2,18,22)
InChIKeyWPOPGLWCZYVKPX-UHFFFAOYSA-N
XLogP3.72
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-quinolin-8-ylsulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl) carbamate?
The IUPAC name of (3-quinolin-8-ylsulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl) carbamate (CID 68888970) is (3-quinolin-8-ylsulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl) carbamate.
What is the SMILES notation for (3-quinolin-8-ylsulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl) carbamate?
The canonical SMILES for (3-quinolin-8-ylsulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl) carbamate is NC(=O)Oc1[nH]c2cccnc2c1Sc1cccc2cccnc12.
What is the InChIKey of (3-quinolin-8-ylsulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl) carbamate?
The InChIKey is WPOPGLWCZYVKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2S/c18-17(22)23-16-15(14-11(21-16)6-3-9-20-14)24-12-7-1-4-10-5-2-8-19-13(10)12/h1-9,21H,(H2,18,22).
What are the key properties of (3-quinolin-8-ylsulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl) carbamate?
(3-quinolin-8-ylsulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl) carbamate has a molecular weight of 336.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-quinolin-8-ylsulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl) carbamate is sourced from PubChem (CID 68888970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).