(7,8-dichloro-2-propan-2-ylquinolin-4-yl)methanol

C13H13Cl2NO — CID 82449331

IUPAC(7,8-dichloro-2-propan-2-ylquinolin-4-yl)methanol
SMILESCC(C)c1cc(CO)c2ccc(Cl)c(Cl)c2n1
InChIInChI=1S/C13H13Cl2NO/c1-7(2)11-5-8(6-17)9-3-4-10(14)12(15)13(9)16-11/h3-5,7,17H,6H2,1-2H3
InChIKeyWHWTYJBSEXLOFC-UHFFFAOYSA-N
MW270.16 g/mol
LogP4.16
Rot. Bonds2

About (7,8-dichloro-2-propan-2-ylquinolin-4-yl)methanol

(7,8-dichloro-2-propan-2-ylquinolin-4-yl)methanol (PubChem CID 82449331) has the molecular formula C13H13Cl2NO and a molecular weight of 270.16 g/mol. Its IUPAC name is (7,8-dichloro-2-propan-2-ylquinolin-4-yl)methanol.

Molecular Properties

Compound Name(7,8-dichloro-2-propan-2-ylquinolin-4-yl)methanol
PubChem CID82449331
Molecular FormulaC13H13Cl2NO
Molecular Weight270.16 g/mol
Exact Mass269.04
IUPAC Name(7,8-dichloro-2-propan-2-ylquinolin-4-yl)methanol
SMILESCC(C)c1cc(CO)c2ccc(Cl)c(Cl)c2n1
InChIInChI=1S/C13H13Cl2NO/c1-7(2)11-5-8(6-17)9-3-4-10(14)12(15)13(9)16-11/h3-5,7,17H,6H2,1-2H3
InChIKeyWHWTYJBSEXLOFC-UHFFFAOYSA-N
XLogP4.16
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7,8-dichloro-2-propan-2-ylquinolin-4-yl)propan-2-ol
CID 82449344
(7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methanamine
CID 82449533
N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]propan-2-amine
CID 82448950
8-bromo-4-(chloromethyl)-2-propan-2-ylquinoline
CID 82449036
(2-chloro-6-propan-2-yl-3-pyridinyl)methanol
CID 58333500
N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine
CID 82448955
4-(bromomethyl)-2,8-di(propan-2-yl)quinoline
CID 82448081
2-(7,8-dichloro-2-methylquinolin-4-yl)acetamide
CID 82575421
1-(7,8-dichloro-2-methylquinolin-4-yl)ethanol
CID 82576061
N-[(7,8-dichloro-2-methylquinolin-4-yl)methyl]butan-2-amine
CID 82449312
4,5,6,8-tetrachloro-2-propan-2-ylquinoline
CID 43668528
(8-methyl-2-propan-2-ylquinolin-4-yl)methanamine
CID 82447883

Frequently Asked Questions

What is the IUPAC name of (7,8-dichloro-2-propan-2-ylquinolin-4-yl)methanol?
The IUPAC name of (7,8-dichloro-2-propan-2-ylquinolin-4-yl)methanol (CID 82449331) is (7,8-dichloro-2-propan-2-ylquinolin-4-yl)methanol.
What is the SMILES notation for (7,8-dichloro-2-propan-2-ylquinolin-4-yl)methanol?
The canonical SMILES for (7,8-dichloro-2-propan-2-ylquinolin-4-yl)methanol is CC(C)c1cc(CO)c2ccc(Cl)c(Cl)c2n1.
What is the InChIKey of (7,8-dichloro-2-propan-2-ylquinolin-4-yl)methanol?
The InChIKey is WHWTYJBSEXLOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO/c1-7(2)11-5-8(6-17)9-3-4-10(14)12(15)13(9)16-11/h3-5,7,17H,6H2,1-2H3.
What are the key properties of (7,8-dichloro-2-propan-2-ylquinolin-4-yl)methanol?
(7,8-dichloro-2-propan-2-ylquinolin-4-yl)methanol has a molecular weight of 270.16 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7,8-dichloro-2-propan-2-ylquinolin-4-yl)methanol is sourced from PubChem (CID 82449331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).