1-(2-tert-butyl-7,8-dichloroquinolin-4-yl)-N-methylmethanamine

C15H18Cl2N2 — CID 82449353

IUPAC1-(2-tert-butyl-7,8-dichloroquinolin-4-yl)-N-methylmethanamine
SMILESCNCc1cc(C(C)(C)C)nc2c(Cl)c(Cl)ccc12
InChIInChI=1S/C15H18Cl2N2/c1-15(2,3)12-7-9(8-18-4)10-5-6-11(16)13(17)14(10)19-12/h5-7,18H,8H2,1-4H3
InChIKeyMQSBPSVLOUZXCT-UHFFFAOYSA-N
MW297.23 g/mol
LogP4.56
Rot. Bonds2

About 1-(2-tert-butyl-7,8-dichloroquinolin-4-yl)-N-methylmethanamine

1-(2-tert-butyl-7,8-dichloroquinolin-4-yl)-N-methylmethanamine (PubChem CID 82449353) has the molecular formula C15H18Cl2N2 and a molecular weight of 297.23 g/mol. Its IUPAC name is 1-(2-tert-butyl-7,8-dichloroquinolin-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-tert-butyl-7,8-dichloroquinolin-4-yl)-N-methylmethanamine
PubChem CID82449353
Molecular FormulaC15H18Cl2N2
Molecular Weight297.23 g/mol
Exact Mass296.08
IUPAC Name1-(2-tert-butyl-7,8-dichloroquinolin-4-yl)-N-methylmethanamine
SMILESCNCc1cc(C(C)(C)C)nc2c(Cl)c(Cl)ccc12
InChIInChI=1S/C15H18Cl2N2/c1-15(2,3)12-7-9(8-18-4)10-5-6-11(16)13(17)14(10)19-12/h5-7,18H,8H2,1-4H3
InChIKeyMQSBPSVLOUZXCT-UHFFFAOYSA-N
XLogP4.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-7,8-dichloro-N-propylquinolin-4-amine
CID 63479601
1-(2-tert-butyl-6,8-dimethylquinolin-4-yl)-N-methylmethanamine
CID 82448573
N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]ethanamine
CID 82448981
N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]butan-2-amine
CID 82448987
7,8-dichloro-N,N-dimethyl-2-(methylaminomethyl)quinolin-4-amine
CID 82249628
2-tert-butyl-4-(chloromethyl)-7,8-dimethylquinoline
CID 82448488
N-[(7,8-dichloro-2-methylquinolin-4-yl)methyl]butan-2-amine
CID 82449312
N-[(2-tert-butyl-7,8-dimethylquinolin-4-yl)methyl]-2-methylpropan-1-amine
CID 82448482
7,8-dichloro-N,N,2-trimethyl-3-(methylaminomethyl)quinolin-4-amine
CID 82251998
2-(7,8-dichloro-2-methylquinolin-4-yl)acetamide
CID 82575421
2-(2-tert-butyl-7,8-dimethylquinolin-4-yl)acetonitrile
CID 82448490
2-tert-butyl-8-chloro-N-methylquinolin-4-amine
CID 63480466

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-7,8-dichloroquinolin-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-tert-butyl-7,8-dichloroquinolin-4-yl)-N-methylmethanamine (CID 82449353) is 1-(2-tert-butyl-7,8-dichloroquinolin-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-tert-butyl-7,8-dichloroquinolin-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-tert-butyl-7,8-dichloroquinolin-4-yl)-N-methylmethanamine is CNCc1cc(C(C)(C)C)nc2c(Cl)c(Cl)ccc12.
What is the InChIKey of 1-(2-tert-butyl-7,8-dichloroquinolin-4-yl)-N-methylmethanamine?
The InChIKey is MQSBPSVLOUZXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2/c1-15(2,3)12-7-9(8-18-4)10-5-6-11(16)13(17)14(10)19-12/h5-7,18H,8H2,1-4H3.
What are the key properties of 1-(2-tert-butyl-7,8-dichloroquinolin-4-yl)-N-methylmethanamine?
1-(2-tert-butyl-7,8-dichloroquinolin-4-yl)-N-methylmethanamine has a molecular weight of 297.23 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-7,8-dichloroquinolin-4-yl)-N-methylmethanamine is sourced from PubChem (CID 82449353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).