5-chloro-2,2,4,8-tetramethyl-6-pyridin-4-yl-3,4-dihydro-1H-quinolin-3-ol

C18H21ClN2O — CID 69465412

IUPAC5-chloro-2,2,4,8-tetramethyl-6-pyridin-4-yl-3,4-dihydro-1H-quinolin-3-ol
SMILESCc1cc(-c2ccncc2)c(Cl)c2c1NC(C)(C)C(O)C2C
InChIInChI=1S/C18H21ClN2O/c1-10-9-13(12-5-7-20-8-6-12)15(19)14-11(2)17(22)18(3,4)21-16(10)14/h5-9,11,17,21-22H,1-4H3
InChIKeyPZASACWYJPUMIT-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.38
Rot. Bonds1

About 5-chloro-2,2,4,8-tetramethyl-6-pyridin-4-yl-3,4-dihydro-1H-quinolin-3-ol

5-chloro-2,2,4,8-tetramethyl-6-pyridin-4-yl-3,4-dihydro-1H-quinolin-3-ol (PubChem CID 69465412) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 5-chloro-2,2,4,8-tetramethyl-6-pyridin-4-yl-3,4-dihydro-1H-quinolin-3-ol.

Molecular Properties

Compound Name5-chloro-2,2,4,8-tetramethyl-6-pyridin-4-yl-3,4-dihydro-1H-quinolin-3-ol
PubChem CID69465412
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name5-chloro-2,2,4,8-tetramethyl-6-pyridin-4-yl-3,4-dihydro-1H-quinolin-3-ol
SMILESCc1cc(-c2ccncc2)c(Cl)c2c1NC(C)(C)C(O)C2C
InChIInChI=1S/C18H21ClN2O/c1-10-9-13(12-5-7-20-8-6-12)15(19)14-11(2)17(22)18(3,4)21-16(10)14/h5-9,11,17,21-22H,1-4H3
InChIKeyPZASACWYJPUMIT-UHFFFAOYSA-N
XLogP4.38
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,2,4,8-tetramethyl-6-pyridin-4-yl-3,4-dihydro-1H-quinolin-3-ol?
The IUPAC name of 5-chloro-2,2,4,8-tetramethyl-6-pyridin-4-yl-3,4-dihydro-1H-quinolin-3-ol (CID 69465412) is 5-chloro-2,2,4,8-tetramethyl-6-pyridin-4-yl-3,4-dihydro-1H-quinolin-3-ol.
What is the SMILES notation for 5-chloro-2,2,4,8-tetramethyl-6-pyridin-4-yl-3,4-dihydro-1H-quinolin-3-ol?
The canonical SMILES for 5-chloro-2,2,4,8-tetramethyl-6-pyridin-4-yl-3,4-dihydro-1H-quinolin-3-ol is Cc1cc(-c2ccncc2)c(Cl)c2c1NC(C)(C)C(O)C2C.
What is the InChIKey of 5-chloro-2,2,4,8-tetramethyl-6-pyridin-4-yl-3,4-dihydro-1H-quinolin-3-ol?
The InChIKey is PZASACWYJPUMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-10-9-13(12-5-7-20-8-6-12)15(19)14-11(2)17(22)18(3,4)21-16(10)14/h5-9,11,17,21-22H,1-4H3.
What are the key properties of 5-chloro-2,2,4,8-tetramethyl-6-pyridin-4-yl-3,4-dihydro-1H-quinolin-3-ol?
5-chloro-2,2,4,8-tetramethyl-6-pyridin-4-yl-3,4-dihydro-1H-quinolin-3-ol has a molecular weight of 316.83 g/mol, XLogP of 4.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,2,4,8-tetramethyl-6-pyridin-4-yl-3,4-dihydro-1H-quinolin-3-ol is sourced from PubChem (CID 69465412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).