N-tert-butyl-6-methoxy-2-phenylquinolin-4-amine

C20H22N2O — CID 166442199

IUPACN-tert-butyl-6-methoxy-2-phenylquinolin-4-amine
SMILESCOc1ccc2nc(-c3ccccc3)cc(NC(C)(C)C)c2c1
InChIInChI=1S/C20H22N2O/c1-20(2,3)22-19-13-18(14-8-6-5-7-9-14)21-17-11-10-15(23-4)12-16(17)19/h5-13H,1-4H3,(H,21,22)
InChIKeyCVEOOXXKRSKCGY-UHFFFAOYSA-N
MW306.41 g/mol
LogP5.12
Rot. Bonds3

About N-tert-butyl-6-methoxy-2-phenylquinolin-4-amine

N-tert-butyl-6-methoxy-2-phenylquinolin-4-amine (PubChem CID 166442199) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is N-tert-butyl-6-methoxy-2-phenylquinolin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-6-methoxy-2-phenylquinolin-4-amine
PubChem CID166442199
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC NameN-tert-butyl-6-methoxy-2-phenylquinolin-4-amine
SMILESCOc1ccc2nc(-c3ccccc3)cc(NC(C)(C)C)c2c1
InChIInChI=1S/C20H22N2O/c1-20(2,3)22-19-13-18(14-8-6-5-7-9-14)21-17-11-10-15(23-4)12-16(17)19/h5-13H,1-4H3,(H,21,22)
InChIKeyCVEOOXXKRSKCGY-UHFFFAOYSA-N
XLogP5.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-methoxy-2-phenylquinolin-4-amine?
The IUPAC name of N-tert-butyl-6-methoxy-2-phenylquinolin-4-amine (CID 166442199) is N-tert-butyl-6-methoxy-2-phenylquinolin-4-amine.
What is the SMILES notation for N-tert-butyl-6-methoxy-2-phenylquinolin-4-amine?
The canonical SMILES for N-tert-butyl-6-methoxy-2-phenylquinolin-4-amine is COc1ccc2nc(-c3ccccc3)cc(NC(C)(C)C)c2c1.
What is the InChIKey of N-tert-butyl-6-methoxy-2-phenylquinolin-4-amine?
The InChIKey is CVEOOXXKRSKCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-20(2,3)22-19-13-18(14-8-6-5-7-9-14)21-17-11-10-15(23-4)12-16(17)19/h5-13H,1-4H3,(H,21,22).
What are the key properties of N-tert-butyl-6-methoxy-2-phenylquinolin-4-amine?
N-tert-butyl-6-methoxy-2-phenylquinolin-4-amine has a molecular weight of 306.41 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-methoxy-2-phenylquinolin-4-amine is sourced from PubChem (CID 166442199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).