4,4-dimethyl-1-(2-methylquinolin-4-yl)pentan-1-ol

C17H23NO — CID 79235538

IUPAC4,4-dimethyl-1-(2-methylquinolin-4-yl)pentan-1-ol
SMILESCc1cc(C(O)CCC(C)(C)C)c2ccccc2n1
InChIInChI=1S/C17H23NO/c1-12-11-14(16(19)9-10-17(2,3)4)13-7-5-6-8-15(13)18-12/h5-8,11,16,19H,9-10H2,1-4H3
InChIKeyPQPAQPLIYZVYRW-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.40
Rot. Bonds3

About 4,4-dimethyl-1-(2-methylquinolin-4-yl)pentan-1-ol

4,4-dimethyl-1-(2-methylquinolin-4-yl)pentan-1-ol (PubChem CID 79235538) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 4,4-dimethyl-1-(2-methylquinolin-4-yl)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(2-methylquinolin-4-yl)pentan-1-ol
PubChem CID79235538
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name4,4-dimethyl-1-(2-methylquinolin-4-yl)pentan-1-ol
SMILESCc1cc(C(O)CCC(C)(C)C)c2ccccc2n1
InChIInChI=1S/C17H23NO/c1-12-11-14(16(19)9-10-17(2,3)4)13-7-5-6-8-15(13)18-12/h5-8,11,16,19H,9-10H2,1-4H3
InChIKeyPQPAQPLIYZVYRW-UHFFFAOYSA-N
XLogP4.40
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(2-methylquinolin-4-yl)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-1-(2-methylquinolin-4-yl)pentan-1-ol (CID 79235538) is 4,4-dimethyl-1-(2-methylquinolin-4-yl)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-(2-methylquinolin-4-yl)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-(2-methylquinolin-4-yl)pentan-1-ol is Cc1cc(C(O)CCC(C)(C)C)c2ccccc2n1.
What is the InChIKey of 4,4-dimethyl-1-(2-methylquinolin-4-yl)pentan-1-ol?
The InChIKey is PQPAQPLIYZVYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-12-11-14(16(19)9-10-17(2,3)4)13-7-5-6-8-15(13)18-12/h5-8,11,16,19H,9-10H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-(2-methylquinolin-4-yl)pentan-1-ol?
4,4-dimethyl-1-(2-methylquinolin-4-yl)pentan-1-ol has a molecular weight of 257.38 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(2-methylquinolin-4-yl)pentan-1-ol is sourced from PubChem (CID 79235538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).