7-methoxy-4-phenylsulfanylquinoline

C16H13NOS — CID 59598389

IUPAC7-methoxy-4-phenylsulfanylquinoline
SMILESCOc1ccc2c(Sc3ccccc3)ccnc2c1
InChIInChI=1S/C16H13NOS/c1-18-12-7-8-14-15(11-12)17-10-9-16(14)19-13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyGRYAEJYLPQDOOY-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.39
Rot. Bonds3

About 7-methoxy-4-phenylsulfanylquinoline

7-methoxy-4-phenylsulfanylquinoline (PubChem CID 59598389) has the molecular formula C16H13NOS and a molecular weight of 267.35 g/mol. Its IUPAC name is 7-methoxy-4-phenylsulfanylquinoline.

Molecular Properties

Compound Name7-methoxy-4-phenylsulfanylquinoline
PubChem CID59598389
Molecular FormulaC16H13NOS
Molecular Weight267.35 g/mol
Exact Mass267.07
IUPAC Name7-methoxy-4-phenylsulfanylquinoline
SMILESCOc1ccc2c(Sc3ccccc3)ccnc2c1
InChIInChI=1S/C16H13NOS/c1-18-12-7-8-14-15(11-12)17-10-9-16(14)19-13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyGRYAEJYLPQDOOY-UHFFFAOYSA-N
XLogP4.39
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,7-dimethoxyquinoline
CID 20743716
7-hexoxy-4-(7-hexoxyquinolin-4-yl)sulfanylquinoline
CID 139772929
1-(9H-fluoren-2-yl)-2-(7-methoxyquinolin-4-yl)sulfanylethanone
CID 18790572
7-methoxy-4-[(E)-3-phenylprop-1-enyl]quinoline
CID 70913061
7-methoxy-N-phenylquinoline-4-sulfonamide
CID 69089978
N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine
CID 118717457
7-methoxy-4-pyridin-3-yloxyquinoline
CID 154308048
4-azido-7-methoxyquinoline
CID 4233800
[2-(7-methoxyquinolin-4-yl)-1-pyridin-2-ylethylidene]hydrazine
CID 73012661
7-chloro-4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]quinoline
CID 67842022
1,3-dimethoxy-5-phenylsulfanylbenzene
CID 122365183
3,3-dimethyl-1-(methylamino)butan-2-ol;7-methoxy-4-phenoxyquinoline
CID 168886816

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-phenylsulfanylquinoline?
The IUPAC name of 7-methoxy-4-phenylsulfanylquinoline (CID 59598389) is 7-methoxy-4-phenylsulfanylquinoline.
What is the SMILES notation for 7-methoxy-4-phenylsulfanylquinoline?
The canonical SMILES for 7-methoxy-4-phenylsulfanylquinoline is COc1ccc2c(Sc3ccccc3)ccnc2c1.
What is the InChIKey of 7-methoxy-4-phenylsulfanylquinoline?
The InChIKey is GRYAEJYLPQDOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS/c1-18-12-7-8-14-15(11-12)17-10-9-16(14)19-13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of 7-methoxy-4-phenylsulfanylquinoline?
7-methoxy-4-phenylsulfanylquinoline has a molecular weight of 267.35 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-phenylsulfanylquinoline is sourced from PubChem (CID 59598389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).