N-(4-phenoxyphenyl)quinolin-4-amine;hydrochloride

C21H17ClN2O — CID 67699123

IUPACN-(4-phenoxyphenyl)quinolin-4-amine;hydrochloride
SMILESCl.c1ccc(Oc2ccc(Nc3ccnc4ccccc34)cc2)cc1
InChIInChI=1S/C21H16N2O.ClH/c1-2-6-17(7-3-1)24-18-12-10-16(11-13-18)23-21-14-15-22-20-9-5-4-8-19(20)21;/h1-15H,(H,22,23);1H
InChIKeyJLQHSKLCGKNOOJ-UHFFFAOYSA-N
MW348.83 g/mol
LogP6.19
Rot. Bonds4

About N-(4-phenoxyphenyl)quinolin-4-amine;hydrochloride

N-(4-phenoxyphenyl)quinolin-4-amine;hydrochloride (PubChem CID 67699123) has the molecular formula C21H17ClN2O and a molecular weight of 348.83 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)quinolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)quinolin-4-amine;hydrochloride
PubChem CID67699123
Molecular FormulaC21H17ClN2O
Molecular Weight348.83 g/mol
Exact Mass348.10
IUPAC NameN-(4-phenoxyphenyl)quinolin-4-amine;hydrochloride
SMILESCl.c1ccc(Oc2ccc(Nc3ccnc4ccccc34)cc2)cc1
InChIInChI=1S/C21H16N2O.ClH/c1-2-6-17(7-3-1)24-18-12-10-16(11-13-18)23-21-14-15-22-20-9-5-4-8-19(20)21;/h1-15H,(H,22,23);1H
InChIKeyJLQHSKLCGKNOOJ-UHFFFAOYSA-N
XLogP6.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.83
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-phenoxyphenyl)quinolin-4-amine
CID 44585573
N-(3-phenoxyphenyl)quinolin-4-amine
CID 44531074
6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;N-(3-phenoxyphenyl)quinolin-4-amine;dihydrochloride
CID 67730198
N-[4-(chloromethyl)phenyl]quinolin-4-amine
CID 65029423
4-(quinolin-4-ylamino)benzonitrile
CID 50877162
N-(4-pyridin-4-yloxyphenyl)-3-(quinolin-4-ylamino)benzamide
CID 166832857
N-phenyl-4-(quinolin-4-ylamino)benzamide
CID 58472461
7-[5-[(dimethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine
CID 44532455
6,7-dimethoxy-N-(4-naphthalen-2-yloxyphenyl)quinolin-4-amine
CID 166515203
7-(difluoromethoxy)-N-phenylquinolin-4-amine
CID 168886760
N-(4-methoxy-3-methylphenyl)quinolin-4-amine
CID 142581718
N-(4-piperidin-4-ylphenyl)quinolin-4-amine
CID 171544473

Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)quinolin-4-amine;hydrochloride?
The IUPAC name of N-(4-phenoxyphenyl)quinolin-4-amine;hydrochloride (CID 67699123) is N-(4-phenoxyphenyl)quinolin-4-amine;hydrochloride.
What is the SMILES notation for N-(4-phenoxyphenyl)quinolin-4-amine;hydrochloride?
The canonical SMILES for N-(4-phenoxyphenyl)quinolin-4-amine;hydrochloride is Cl.c1ccc(Oc2ccc(Nc3ccnc4ccccc34)cc2)cc1.
What is the InChIKey of N-(4-phenoxyphenyl)quinolin-4-amine;hydrochloride?
The InChIKey is JLQHSKLCGKNOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O.ClH/c1-2-6-17(7-3-1)24-18-12-10-16(11-13-18)23-21-14-15-22-20-9-5-4-8-19(20)21;/h1-15H,(H,22,23);1H.
What are the key properties of N-(4-phenoxyphenyl)quinolin-4-amine;hydrochloride?
N-(4-phenoxyphenyl)quinolin-4-amine;hydrochloride has a molecular weight of 348.83 g/mol, XLogP of 6.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)quinolin-4-amine;hydrochloride is sourced from PubChem (CID 67699123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).