N-(4-butylphenyl)-7-methoxy-2-methylquinolin-4-amine

C21H24N2O — CID 22417905

IUPACN-(4-butylphenyl)-7-methoxy-2-methylquinolin-4-amine
SMILESCCCCc1ccc(Nc2cc(C)nc3cc(OC)ccc23)cc1
InChIInChI=1S/C21H24N2O/c1-4-5-6-16-7-9-17(10-8-16)23-20-13-15(2)22-21-14-18(24-3)11-12-19(20)21/h7-14H,4-6H2,1-3H3,(H,22,23)
InChIKeyMHYKGABJGNYTJE-UHFFFAOYSA-N
MW320.44 g/mol
LogP5.64
Rot. Bonds6

About N-(4-butylphenyl)-7-methoxy-2-methylquinolin-4-amine

N-(4-butylphenyl)-7-methoxy-2-methylquinolin-4-amine (PubChem CID 22417905) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-(4-butylphenyl)-7-methoxy-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-(4-butylphenyl)-7-methoxy-2-methylquinolin-4-amine
PubChem CID22417905
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC NameN-(4-butylphenyl)-7-methoxy-2-methylquinolin-4-amine
SMILESCCCCc1ccc(Nc2cc(C)nc3cc(OC)ccc23)cc1
InChIInChI=1S/C21H24N2O/c1-4-5-6-16-7-9-17(10-8-16)23-20-13-15(2)22-21-14-18(24-3)11-12-19(20)21/h7-14H,4-6H2,1-3H3,(H,22,23)
InChIKeyMHYKGABJGNYTJE-UHFFFAOYSA-N
XLogP5.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.44
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-7-methoxy-2-methylquinolin-4-amine
CID 110435606
N-(3,4-dimethoxyphenyl)-7-methoxy-2-methylquinolin-4-amine
CID 110435623
4-[(7-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide
CID 110435636
7-methoxy-2-methyl-N-(3-methylphenyl)quinolin-4-amine
CID 110435602
7-methoxy-N-(2-methoxyphenyl)-2-methylquinolin-4-amine
CID 110435616
6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine
CID 696588
N-tert-butyl-7-methoxy-2-methylquinolin-4-amine
CID 110433200
4-[(7-methoxy-2-methylquinolin-4-yl)amino]-3-methylphenol
CID 110435658
N-(4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine
CID 798853
6-methoxy-2-methyl-N-(4-propan-2-yloxyphenyl)quinolin-4-amine
CID 110435675
N-(2,2-dimethoxyethyl)-7-methoxy-2-methylquinolin-4-amine
CID 110432925
propyl 4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate;hydrochloride
CID 18590567

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-7-methoxy-2-methylquinolin-4-amine?
The IUPAC name of N-(4-butylphenyl)-7-methoxy-2-methylquinolin-4-amine (CID 22417905) is N-(4-butylphenyl)-7-methoxy-2-methylquinolin-4-amine.
What is the SMILES notation for N-(4-butylphenyl)-7-methoxy-2-methylquinolin-4-amine?
The canonical SMILES for N-(4-butylphenyl)-7-methoxy-2-methylquinolin-4-amine is CCCCc1ccc(Nc2cc(C)nc3cc(OC)ccc23)cc1.
What is the InChIKey of N-(4-butylphenyl)-7-methoxy-2-methylquinolin-4-amine?
The InChIKey is MHYKGABJGNYTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-4-5-6-16-7-9-17(10-8-16)23-20-13-15(2)22-21-14-18(24-3)11-12-19(20)21/h7-14H,4-6H2,1-3H3,(H,22,23).
What are the key properties of N-(4-butylphenyl)-7-methoxy-2-methylquinolin-4-amine?
N-(4-butylphenyl)-7-methoxy-2-methylquinolin-4-amine has a molecular weight of 320.44 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-7-methoxy-2-methylquinolin-4-amine is sourced from PubChem (CID 22417905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).