N-[(7,8-dichloro-2-methylquinolin-4-yl)methyl]butan-2-amine

C15H18Cl2N2 — CID 82449312

IUPACN-[(7,8-dichloro-2-methylquinolin-4-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1cc(C)nc2c(Cl)c(Cl)ccc12
InChIInChI=1S/C15H18Cl2N2/c1-4-9(2)18-8-11-7-10(3)19-15-12(11)5-6-13(16)14(15)17/h5-7,9,18H,4,8H2,1-3H3
InChIKeyRHXFIKGMGQIWOH-UHFFFAOYSA-N
MW297.23 g/mol
LogP4.74
Rot. Bonds4

About N-[(7,8-dichloro-2-methylquinolin-4-yl)methyl]butan-2-amine

N-[(7,8-dichloro-2-methylquinolin-4-yl)methyl]butan-2-amine (PubChem CID 82449312) has the molecular formula C15H18Cl2N2 and a molecular weight of 297.23 g/mol. Its IUPAC name is N-[(7,8-dichloro-2-methylquinolin-4-yl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(7,8-dichloro-2-methylquinolin-4-yl)methyl]butan-2-amine
PubChem CID82449312
Molecular FormulaC15H18Cl2N2
Molecular Weight297.23 g/mol
Exact Mass296.08
IUPAC NameN-[(7,8-dichloro-2-methylquinolin-4-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1cc(C)nc2c(Cl)c(Cl)ccc12
InChIInChI=1S/C15H18Cl2N2/c1-4-9(2)18-8-11-7-10(3)19-15-12(11)5-6-13(16)14(15)17/h5-7,9,18H,4,8H2,1-3H3
InChIKeyRHXFIKGMGQIWOH-UHFFFAOYSA-N
XLogP4.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(8-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine
CID 82449013
N-[(8-methoxy-2-methylquinolin-4-yl)methyl]butan-2-amine
CID 82449656
N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine
CID 82448955
2-(7,8-dichloro-2-methylquinolin-4-yl)acetamide
CID 82575421
N-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine
CID 82449064
N-[(6-ethyl-2-methylquinolin-4-yl)methyl]butan-2-amine
CID 82448231
N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]butan-2-amine
CID 82448987
1-(7,8-dichloro-2-methylquinolin-4-yl)ethanol
CID 82576061
N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine
CID 82447872
4-bromo-7,8-dichloro-2-methylquinoline
CID 39346159
N-[(4,6-dimethylpyrimidin-2-yl)methyl]butan-2-amine
CID 130198316
N-[(3,4-dichlorophenyl)methyl]butan-2-amine;hydrochloride
CID 17293997

Frequently Asked Questions

What is the IUPAC name of N-[(7,8-dichloro-2-methylquinolin-4-yl)methyl]butan-2-amine?
The IUPAC name of N-[(7,8-dichloro-2-methylquinolin-4-yl)methyl]butan-2-amine (CID 82449312) is N-[(7,8-dichloro-2-methylquinolin-4-yl)methyl]butan-2-amine.
What is the SMILES notation for N-[(7,8-dichloro-2-methylquinolin-4-yl)methyl]butan-2-amine?
The canonical SMILES for N-[(7,8-dichloro-2-methylquinolin-4-yl)methyl]butan-2-amine is CCC(C)NCc1cc(C)nc2c(Cl)c(Cl)ccc12.
What is the InChIKey of N-[(7,8-dichloro-2-methylquinolin-4-yl)methyl]butan-2-amine?
The InChIKey is RHXFIKGMGQIWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2/c1-4-9(2)18-8-11-7-10(3)19-15-12(11)5-6-13(16)14(15)17/h5-7,9,18H,4,8H2,1-3H3.
What are the key properties of N-[(7,8-dichloro-2-methylquinolin-4-yl)methyl]butan-2-amine?
N-[(7,8-dichloro-2-methylquinolin-4-yl)methyl]butan-2-amine has a molecular weight of 297.23 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7,8-dichloro-2-methylquinolin-4-yl)methyl]butan-2-amine is sourced from PubChem (CID 82449312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).