(2-tert-butyl-6-chloroquinolin-4-yl)methanol

C14H16ClNO — CID 82449170

IUPAC(2-tert-butyl-6-chloroquinolin-4-yl)methanol
SMILESCC(C)(C)c1cc(CO)c2cc(Cl)ccc2n1
InChIInChI=1S/C14H16ClNO/c1-14(2,3)13-6-9(8-17)11-7-10(15)4-5-12(11)16-13/h4-7,17H,8H2,1-3H3
InChIKeyNAYVSIAEXUPSMN-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.68
Rot. Bonds1

About (2-tert-butyl-6-chloroquinolin-4-yl)methanol

(2-tert-butyl-6-chloroquinolin-4-yl)methanol (PubChem CID 82449170) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is (2-tert-butyl-6-chloroquinolin-4-yl)methanol.

Molecular Properties

Compound Name(2-tert-butyl-6-chloroquinolin-4-yl)methanol
PubChem CID82449170
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name(2-tert-butyl-6-chloroquinolin-4-yl)methanol
SMILESCC(C)(C)c1cc(CO)c2cc(Cl)ccc2n1
InChIInChI=1S/C14H16ClNO/c1-14(2,3)13-6-9(8-17)11-7-10(15)4-5-12(11)16-13/h4-7,17H,8H2,1-3H3
InChIKeyNAYVSIAEXUPSMN-UHFFFAOYSA-N
XLogP3.68
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-6-chloroquinolin-4-yl)methanol?
The IUPAC name of (2-tert-butyl-6-chloroquinolin-4-yl)methanol (CID 82449170) is (2-tert-butyl-6-chloroquinolin-4-yl)methanol.
What is the SMILES notation for (2-tert-butyl-6-chloroquinolin-4-yl)methanol?
The canonical SMILES for (2-tert-butyl-6-chloroquinolin-4-yl)methanol is CC(C)(C)c1cc(CO)c2cc(Cl)ccc2n1.
What is the InChIKey of (2-tert-butyl-6-chloroquinolin-4-yl)methanol?
The InChIKey is NAYVSIAEXUPSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-14(2,3)13-6-9(8-17)11-7-10(15)4-5-12(11)16-13/h4-7,17H,8H2,1-3H3.
What are the key properties of (2-tert-butyl-6-chloroquinolin-4-yl)methanol?
(2-tert-butyl-6-chloroquinolin-4-yl)methanol has a molecular weight of 249.74 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-6-chloroquinolin-4-yl)methanol is sourced from PubChem (CID 82449170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).