N-(3-phenoxyphenyl)quinolin-4-amine

C21H16N2O — CID 44531074

IUPACN-(3-phenoxyphenyl)quinolin-4-amine
SMILESc1ccc(Oc2cccc(Nc3ccnc4ccccc34)c2)cc1
InChIInChI=1S/C21H16N2O/c1-2-8-17(9-3-1)24-18-10-6-7-16(15-18)23-21-13-14-22-20-12-5-4-11-19(20)21/h1-15H,(H,22,23)
InChIKeyCCTMIADRZHWUER-UHFFFAOYSA-N
MW312.37 g/mol
LogP5.77
Rot. Bonds4

About N-(3-phenoxyphenyl)quinolin-4-amine

N-(3-phenoxyphenyl)quinolin-4-amine (PubChem CID 44531074) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(3-phenoxyphenyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(3-phenoxyphenyl)quinolin-4-amine
PubChem CID44531074
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC NameN-(3-phenoxyphenyl)quinolin-4-amine
SMILESc1ccc(Oc2cccc(Nc3ccnc4ccccc34)c2)cc1
InChIInChI=1S/C21H16N2O/c1-2-8-17(9-3-1)24-18-10-6-7-16(15-18)23-21-13-14-22-20-12-5-4-11-19(20)21/h1-15H,(H,22,23)
InChIKeyCCTMIADRZHWUER-UHFFFAOYSA-N
XLogP5.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.37
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;N-(3-phenoxyphenyl)quinolin-4-amine;dihydrochloride
CID 67730198
N-(4-phenoxyphenyl)quinolin-4-amine
CID 44585573
N-(4-phenoxyphenyl)quinolin-4-amine;hydrochloride
CID 67699123
N-(4-pyridin-4-yloxyphenyl)-3-(quinolin-4-ylamino)benzamide
CID 166832857
3-[(6-fluoroquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 157042860
7-chloro-N-(3-methoxyphenyl)quinolin-4-amine
CID 50877151
N-(4-methoxy-3-methylphenyl)quinolin-4-amine
CID 142581718
6,7-dimethoxy-N-(3-methoxyphenyl)quinolin-4-amine
CID 53264717
3-[(6-cyanoquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 157043187
N-ethyl-6-phenoxyquinolin-4-amine
CID 63485387
N-[2-(2,5-difluorophenyl)-4-pyridinyl]quinolin-4-amine
CID 164628039
N-isoquinolin-6-ylquinolin-5-amine
CID 164533991

Frequently Asked Questions

What is the IUPAC name of N-(3-phenoxyphenyl)quinolin-4-amine?
The IUPAC name of N-(3-phenoxyphenyl)quinolin-4-amine (CID 44531074) is N-(3-phenoxyphenyl)quinolin-4-amine.
What is the SMILES notation for N-(3-phenoxyphenyl)quinolin-4-amine?
The canonical SMILES for N-(3-phenoxyphenyl)quinolin-4-amine is c1ccc(Oc2cccc(Nc3ccnc4ccccc34)c2)cc1.
What is the InChIKey of N-(3-phenoxyphenyl)quinolin-4-amine?
The InChIKey is CCTMIADRZHWUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c1-2-8-17(9-3-1)24-18-10-6-7-16(15-18)23-21-13-14-22-20-12-5-4-11-19(20)21/h1-15H,(H,22,23).
What are the key properties of N-(3-phenoxyphenyl)quinolin-4-amine?
N-(3-phenoxyphenyl)quinolin-4-amine has a molecular weight of 312.37 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenoxyphenyl)quinolin-4-amine is sourced from PubChem (CID 44531074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).