2-tert-butyl-8-chloro-N-methylquinolin-4-amine

C14H17ClN2 — CID 63480466

IUPAC2-tert-butyl-8-chloro-N-methylquinolin-4-amine
SMILESCNc1cc(C(C)(C)C)nc2c(Cl)cccc12
InChIInChI=1S/C14H17ClN2/c1-14(2,3)12-8-11(16-4)9-6-5-7-10(15)13(9)17-12/h5-8H,1-4H3,(H,16,17)
InChIKeyGBXWGNQWGYPPGJ-UHFFFAOYSA-N
MW248.76 g/mol
LogP4.23
Rot. Bonds1

About 2-tert-butyl-8-chloro-N-methylquinolin-4-amine

2-tert-butyl-8-chloro-N-methylquinolin-4-amine (PubChem CID 63480466) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 2-tert-butyl-8-chloro-N-methylquinolin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-8-chloro-N-methylquinolin-4-amine
PubChem CID63480466
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name2-tert-butyl-8-chloro-N-methylquinolin-4-amine
SMILESCNc1cc(C(C)(C)C)nc2c(Cl)cccc12
InChIInChI=1S/C14H17ClN2/c1-14(2,3)12-8-11(16-4)9-6-5-7-10(15)13(9)17-12/h5-8H,1-4H3,(H,16,17)
InChIKeyGBXWGNQWGYPPGJ-UHFFFAOYSA-N
XLogP4.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Chloroquine
CID 2719
(+-)-Desethylchloroquine
CID 95478
Aminoquinol
CID 5708341
Acridine, 1,2,3,4-tetrahydro-9-amino-7-chloro-
CID 22493
Bisdesethylchloroquine
CID 122672
Sontoquine
CID 66553
Ro 41-3118
CID 408190
(-)-Chloroquine
CID 444810
3-Chloro-9-acridinamine
CID 18866
N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine
CID 657093
N-(7-Chloroquinolin-4-yl)propane-1,3-diamine
CID 245076
(+)-Chloroquine
CID 639540

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-8-chloro-N-methylquinolin-4-amine?
The IUPAC name of 2-tert-butyl-8-chloro-N-methylquinolin-4-amine (CID 63480466) is 2-tert-butyl-8-chloro-N-methylquinolin-4-amine.
What is the SMILES notation for 2-tert-butyl-8-chloro-N-methylquinolin-4-amine?
The canonical SMILES for 2-tert-butyl-8-chloro-N-methylquinolin-4-amine is CNc1cc(C(C)(C)C)nc2c(Cl)cccc12.
What is the InChIKey of 2-tert-butyl-8-chloro-N-methylquinolin-4-amine?
The InChIKey is GBXWGNQWGYPPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-14(2,3)12-8-11(16-4)9-6-5-7-10(15)13(9)17-12/h5-8H,1-4H3,(H,16,17).
What are the key properties of 2-tert-butyl-8-chloro-N-methylquinolin-4-amine?
2-tert-butyl-8-chloro-N-methylquinolin-4-amine has a molecular weight of 248.76 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-8-chloro-N-methylquinolin-4-amine is sourced from PubChem (CID 63480466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).