ethane;4-methylquinoline

C12H15N — CID 90853056

IUPACethane;4-methylquinoline
SMILESCC.Cc1ccnc2ccccc12
InChIInChI=1S/C10H9N.C2H6/c1-8-6-7-11-10-5-3-2-4-9(8)10;1-2/h2-7H,1H3;1-2H3
InChIKeyXIGHQFNFKCDKED-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.57
Rot. Bonds

About ethane;4-methylquinoline

ethane;4-methylquinoline (PubChem CID 90853056) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is ethane;4-methylquinoline.

Molecular Properties

Compound Nameethane;4-methylquinoline
PubChem CID90853056
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Nameethane;4-methylquinoline
SMILESCC.Cc1ccnc2ccccc12
InChIInChI=1S/C10H9N.C2H6/c1-8-6-7-11-10-5-3-2-4-9(8)10;1-2/h2-7H,1H3;1-2H3
InChIKeyXIGHQFNFKCDKED-UHFFFAOYSA-N
XLogP3.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methylquinoline?
The IUPAC name of ethane;4-methylquinoline (CID 90853056) is ethane;4-methylquinoline.
What is the SMILES notation for ethane;4-methylquinoline?
The canonical SMILES for ethane;4-methylquinoline is CC.Cc1ccnc2ccccc12.
What is the InChIKey of ethane;4-methylquinoline?
The InChIKey is XIGHQFNFKCDKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.C2H6/c1-8-6-7-11-10-5-3-2-4-9(8)10;1-2/h2-7H,1H3;1-2H3.
What are the key properties of ethane;4-methylquinoline?
ethane;4-methylquinoline has a molecular weight of 173.26 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methylquinoline is sourced from PubChem (CID 90853056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).