ethene;6-methoxyquinoline

C12H13NO — CID 174599262

IUPACethene;6-methoxyquinoline
SMILESC=C.COc1ccc2ncccc2c1
InChIInChI=1S/C10H9NO.C2H4/c1-12-9-4-5-10-8(7-9)3-2-6-11-10;1-2/h2-7H,1H3;1-2H2
InChIKeyGJCPHVJNDKEGGT-UHFFFAOYSA-N
MW187.24 g/mol
LogP3.05
Rot. Bonds1

About ethene;6-methoxyquinoline

ethene;6-methoxyquinoline (PubChem CID 174599262) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is ethene;6-methoxyquinoline.

Molecular Properties

Compound Nameethene;6-methoxyquinoline
PubChem CID174599262
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Nameethene;6-methoxyquinoline
SMILESC=C.COc1ccc2ncccc2c1
InChIInChI=1S/C10H9NO.C2H4/c1-12-9-4-5-10-8(7-9)3-2-6-11-10;1-2/h2-7H,1H3;1-2H2
InChIKeyGJCPHVJNDKEGGT-UHFFFAOYSA-N
XLogP3.05
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[(2-methylpropan-2-yl)oxy]quinoline
CID 59854598
6-[(3-methoxyphenyl)methyl]quinoline
CID 172878073
6-prop-2-enoxyquinoline
CID 21107330
quinolin-6-yl methanesulfonate
CID 157288502
N-(4-methoxyphenyl)-2-quinolin-6-yloxyacetamide
CID 112978693
6-phosphorosooxyquinoline
CID 21130862
quinolin-6-yl formate
CID 57289431
6-tridecoxyquinoline
CID 174908858
1-quinolin-6-yloxypropan-2-amine
CID 86262441
3-methoxybenzoic acid;quinoline
CID 67785482
2-quinolin-6-yloxyacetonitrile
CID 70448045
6-[(3-methoxy-2-prop-1-en-2-ylphenyl)methoxy]quinoline
CID 89093856

Frequently Asked Questions

What is the IUPAC name of ethene;6-methoxyquinoline?
The IUPAC name of ethene;6-methoxyquinoline (CID 174599262) is ethene;6-methoxyquinoline.
What is the SMILES notation for ethene;6-methoxyquinoline?
The canonical SMILES for ethene;6-methoxyquinoline is C=C.COc1ccc2ncccc2c1.
What is the InChIKey of ethene;6-methoxyquinoline?
The InChIKey is GJCPHVJNDKEGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO.C2H4/c1-12-9-4-5-10-8(7-9)3-2-6-11-10;1-2/h2-7H,1H3;1-2H2.
What are the key properties of ethene;6-methoxyquinoline?
ethene;6-methoxyquinoline has a molecular weight of 187.24 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;6-methoxyquinoline is sourced from PubChem (CID 174599262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).