3-prop-2-ynoxyquinoline

C12H9NO — CID 102847055

IUPAC3-prop-2-ynoxyquinoline
SMILESC#CCOc1cnc2ccccc2c1
InChIInChI=1S/C12H9NO/c1-2-7-14-11-8-10-5-3-4-6-12(10)13-9-11/h1,3-6,8-9H,7H2
InChIKeyKLMYEDYIYGTOQG-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.25
Rot. Bonds2

About 3-prop-2-ynoxyquinoline

3-prop-2-ynoxyquinoline (PubChem CID 102847055) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-prop-2-ynoxyquinoline.

Molecular Properties

Compound Name3-prop-2-ynoxyquinoline
PubChem CID102847055
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Name3-prop-2-ynoxyquinoline
SMILESC#CCOc1cnc2ccccc2c1
InChIInChI=1S/C12H9NO/c1-2-7-14-11-8-10-5-3-4-6-12(10)13-9-11/h1,3-6,8-9H,7H2
InChIKeyKLMYEDYIYGTOQG-UHFFFAOYSA-N
XLogP2.25
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(bromomethoxy)quinoline
CID 54277099
2-quinolin-3-yloxyethanol
CID 102847036
2-quinolin-3-yloxyethanamine
CID 84661473
2,6-bis(prop-2-ynoxy)naphthalene
CID 12710422
3-(3,3,3-trifluoropropoxy)quinoline
CID 102846999
2,2-dimethyl-3-quinolin-3-yloxypropane-1-thiol
CID 107388367
3-(3-methylbut-2-enoxy)quinoline
CID 107388245
3-methylsulfanyloxyquinoline
CID 174462861
2-quinolin-3-yloxyethanesulfonyl chloride
CID 107388048
3-quinolin-3-yloxypropanamide
CID 107388241
(2-quinolin-3-yloxypyrimidin-5-yl)methanamine
CID 107387604
1-pyrrolidin-1-yl-2-quinolin-3-yloxyethanone
CID 110487998

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-ynoxyquinoline?
The IUPAC name of 3-prop-2-ynoxyquinoline (CID 102847055) is 3-prop-2-ynoxyquinoline.
What is the SMILES notation for 3-prop-2-ynoxyquinoline?
The canonical SMILES for 3-prop-2-ynoxyquinoline is C#CCOc1cnc2ccccc2c1.
What is the InChIKey of 3-prop-2-ynoxyquinoline?
The InChIKey is KLMYEDYIYGTOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c1-2-7-14-11-8-10-5-3-4-6-12(10)13-9-11/h1,3-6,8-9H,7H2.
What are the key properties of 3-prop-2-ynoxyquinoline?
3-prop-2-ynoxyquinoline has a molecular weight of 183.21 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-ynoxyquinoline is sourced from PubChem (CID 102847055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).