4-chloro-6-phenylmethoxyquinolin-3-amine

C16H13ClN2O — CID 102614162

IUPAC4-chloro-6-phenylmethoxyquinolin-3-amine
SMILESNc1cnc2ccc(OCc3ccccc3)cc2c1Cl
InChIInChI=1S/C16H13ClN2O/c17-16-13-8-12(6-7-15(13)19-9-14(16)18)20-10-11-4-2-1-3-5-11/h1-9H,10,18H2
InChIKeyMBFXWEWWYUBIGF-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.05
Rot. Bonds3

About 4-chloro-6-phenylmethoxyquinolin-3-amine

4-chloro-6-phenylmethoxyquinolin-3-amine (PubChem CID 102614162) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 4-chloro-6-phenylmethoxyquinolin-3-amine.

Molecular Properties

Compound Name4-chloro-6-phenylmethoxyquinolin-3-amine
PubChem CID102614162
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name4-chloro-6-phenylmethoxyquinolin-3-amine
SMILESNc1cnc2ccc(OCc3ccccc3)cc2c1Cl
InChIInChI=1S/C16H13ClN2O/c17-16-13-8-12(6-7-15(13)19-9-14(16)18)20-10-11-4-2-1-3-5-11/h1-9H,10,18H2
InChIKeyMBFXWEWWYUBIGF-UHFFFAOYSA-N
XLogP4.05
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-6-phenylmethoxyquinoline
CID 114759785
3-bromo-4-chloro-6-phenylmethoxyquinoline
CID 114759884
4-chloro-6-phenylmethoxyquinoline
CID 23078431
4-chloro-6-methoxy-7-phenylmethoxyquinolin-3-amine;ethane
CID 177004461
4-hydrazinyl-7-phenylmethoxyquinolin-3-amine
CID 69151433
2-phenyl-6-phenylmethoxyquinolin-4-amine
CID 113232549
2-ethyl-6-phenylmethoxyquinolin-4-amine
CID 62204129
2,3-dimethyl-6-phenylmethoxyquinolin-4-amine
CID 62204130
2-chloro-4-methyl-6-phenylmethoxyquinoline
CID 82580959
(4-chloro-7-phenylmethoxyquinolin-3-yl)methanol
CID 169092914
(4-chloro-7-phenylmethoxyquinolin-3-yl)-(3-fluorophenyl)methanol
CID 169092952
2-(aminomethyl)-4-phenylmethoxyaniline
CID 156839624

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-phenylmethoxyquinolin-3-amine?
The IUPAC name of 4-chloro-6-phenylmethoxyquinolin-3-amine (CID 102614162) is 4-chloro-6-phenylmethoxyquinolin-3-amine.
What is the SMILES notation for 4-chloro-6-phenylmethoxyquinolin-3-amine?
The canonical SMILES for 4-chloro-6-phenylmethoxyquinolin-3-amine is Nc1cnc2ccc(OCc3ccccc3)cc2c1Cl.
What is the InChIKey of 4-chloro-6-phenylmethoxyquinolin-3-amine?
The InChIKey is MBFXWEWWYUBIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c17-16-13-8-12(6-7-15(13)19-9-14(16)18)20-10-11-4-2-1-3-5-11/h1-9H,10,18H2.
What are the key properties of 4-chloro-6-phenylmethoxyquinolin-3-amine?
4-chloro-6-phenylmethoxyquinolin-3-amine has a molecular weight of 284.75 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-phenylmethoxyquinolin-3-amine is sourced from PubChem (CID 102614162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).