4-methoxy-3-prop-2-ynylsulfanylquinoline

C13H11NOS — CID 15351571

IUPAC4-methoxy-3-prop-2-ynylsulfanylquinoline
SMILESC#CCSc1cnc2ccccc2c1OC
InChIInChI=1S/C13H11NOS/c1-3-8-16-12-9-14-11-7-5-4-6-10(11)13(12)15-2/h1,4-7,9H,8H2,2H3
InChIKeyGIWOQEPWUOCVJN-UHFFFAOYSA-N
MW229.30 g/mol
LogP2.97
Rot. Bonds3

About 4-methoxy-3-prop-2-ynylsulfanylquinoline

4-methoxy-3-prop-2-ynylsulfanylquinoline (PubChem CID 15351571) has the molecular formula C13H11NOS and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-methoxy-3-prop-2-ynylsulfanylquinoline.

Molecular Properties

Compound Name4-methoxy-3-prop-2-ynylsulfanylquinoline
PubChem CID15351571
Molecular FormulaC13H11NOS
Molecular Weight229.30 g/mol
Exact Mass229.06
IUPAC Name4-methoxy-3-prop-2-ynylsulfanylquinoline
SMILESC#CCSc1cnc2ccccc2c1OC
InChIInChI=1S/C13H11NOS/c1-3-8-16-12-9-14-11-7-5-4-6-10(11)13(12)15-2/h1,4-7,9H,8H2,2H3
InChIKeyGIWOQEPWUOCVJN-UHFFFAOYSA-N
XLogP2.97
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-prop-2-ynoxy-3-[3-[2-[4-(4-prop-2-ynoxyquinolin-3-yl)sulfanylquinolin-3-yl]sulfanylethylsulfanyl]quinolin-4-yl]sulfanylquinoline
CID 10700395
4-(4-methoxyquinolin-3-yl)sulfanyl-2-propan-2-ylquinoline-3-thiol
CID 24827632
4-(3-methylsulfanylquinolin-4-yl)sulfanylbut-2-yn-1-ol
CID 44562463
8-bromo-7,10-dimethoxyphenanthridine
CID 135038459
4-but-3-yn-2-yloxyquinoline-3-carbonitrile
CID 106794946
N'-hydroxy-4-methoxyquinoline-3-carboximidamide
CID 43669877
[4-(2-methoxyphenoxy)quinolin-3-yl]methanamine
CID 43669445
[4-(2-methoxyphenyl)sulfanylquinolin-3-yl]methanamine
CID 61290357
(4-propan-2-yloxyquinolin-3-yl)methanamine
CID 43669459
2-(3-methoxyquinolin-4-yl)ethanamine
CID 84670749
4-methylsulfanyl-3-[(4-methylsulfanylquinolin-3-yl)disulfanyl]quinoline
CID 101180966
4-(3-methoxypropylsulfanyl)quinoline-3-carbonitrile
CID 55262081

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-prop-2-ynylsulfanylquinoline?
The IUPAC name of 4-methoxy-3-prop-2-ynylsulfanylquinoline (CID 15351571) is 4-methoxy-3-prop-2-ynylsulfanylquinoline.
What is the SMILES notation for 4-methoxy-3-prop-2-ynylsulfanylquinoline?
The canonical SMILES for 4-methoxy-3-prop-2-ynylsulfanylquinoline is C#CCSc1cnc2ccccc2c1OC.
What is the InChIKey of 4-methoxy-3-prop-2-ynylsulfanylquinoline?
The InChIKey is GIWOQEPWUOCVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NOS/c1-3-8-16-12-9-14-11-7-5-4-6-10(11)13(12)15-2/h1,4-7,9H,8H2,2H3.
What are the key properties of 4-methoxy-3-prop-2-ynylsulfanylquinoline?
4-methoxy-3-prop-2-ynylsulfanylquinoline has a molecular weight of 229.30 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-prop-2-ynylsulfanylquinoline is sourced from PubChem (CID 15351571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).