2-phenyl-6-phenylmethoxyquinolin-4-amine

C22H18N2O — CID 113232549

IUPAC2-phenyl-6-phenylmethoxyquinolin-4-amine
SMILESNc1cc(-c2ccccc2)nc2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C22H18N2O/c23-20-14-22(17-9-5-2-6-10-17)24-21-12-11-18(13-19(20)21)25-15-16-7-3-1-4-8-16/h1-14H,15H2,(H2,23,24)
InChIKeyNNXFAAHWYHWTJO-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.06
Rot. Bonds4

About 2-phenyl-6-phenylmethoxyquinolin-4-amine

2-phenyl-6-phenylmethoxyquinolin-4-amine (PubChem CID 113232549) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-phenyl-6-phenylmethoxyquinolin-4-amine.

Molecular Properties

Compound Name2-phenyl-6-phenylmethoxyquinolin-4-amine
PubChem CID113232549
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name2-phenyl-6-phenylmethoxyquinolin-4-amine
SMILESNc1cc(-c2ccccc2)nc2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C22H18N2O/c23-20-14-22(17-9-5-2-6-10-17)24-21-12-11-18(13-19(20)21)25-15-16-7-3-1-4-8-16/h1-14H,15H2,(H2,23,24)
InChIKeyNNXFAAHWYHWTJO-UHFFFAOYSA-N
XLogP5.06
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-6-phenylmethoxyquinolin-4-amine
CID 62204129
2,3-dimethyl-6-phenylmethoxyquinolin-4-amine
CID 62204130
4-chloro-6-phenylmethoxyquinolin-3-amine
CID 102614162
2-phenyl-4-phenylmethoxyquinoline
CID 14954067
6-methoxy-2-(3-methoxyphenyl)quinolin-4-amine
CID 69239758
2-phenylquinolin-4-amine;hydrochloride
CID 134690731
2-phenylquinolin-4-amine;hydrate
CID 51057793
2-(2-phenylmethoxyphenyl)quinolin-4-amine
CID 175090092
6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 4711644
2-(4-butoxyphenyl)quinolin-4-amine
CID 95493431
2-(4-phenylmethoxyphenyl)quinoxaline
CID 902798
6-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 4711645

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-phenylmethoxyquinolin-4-amine?
The IUPAC name of 2-phenyl-6-phenylmethoxyquinolin-4-amine (CID 113232549) is 2-phenyl-6-phenylmethoxyquinolin-4-amine.
What is the SMILES notation for 2-phenyl-6-phenylmethoxyquinolin-4-amine?
The canonical SMILES for 2-phenyl-6-phenylmethoxyquinolin-4-amine is Nc1cc(-c2ccccc2)nc2ccc(OCc3ccccc3)cc12.
What is the InChIKey of 2-phenyl-6-phenylmethoxyquinolin-4-amine?
The InChIKey is NNXFAAHWYHWTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c23-20-14-22(17-9-5-2-6-10-17)24-21-12-11-18(13-19(20)21)25-15-16-7-3-1-4-8-16/h1-14H,15H2,(H2,23,24).
What are the key properties of 2-phenyl-6-phenylmethoxyquinolin-4-amine?
2-phenyl-6-phenylmethoxyquinolin-4-amine has a molecular weight of 326.40 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-phenylmethoxyquinolin-4-amine is sourced from PubChem (CID 113232549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).