N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-(3-morpholin-4-ylphenyl)quinolin-4-amine

C32H27ClFN3O2 — CID 118364939

IUPACN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-(3-morpholin-4-ylphenyl)quinolin-4-amine
SMILESFc1cccc(COc2ccc(Nc3ccnc4cc(-c5cccc(N6CCOCC6)c5)ccc34)cc2Cl)c1
InChIInChI=1S/C32H27ClFN3O2/c33-29-20-26(8-10-32(29)39-21-22-3-1-5-25(34)17-22)36-30-11-12-35-31-19-24(7-9-28(30)31)23-4-2-6-27(18-23)37-13-15-38-16-14-37/h1-12,17-20H,13-16,21H2,(H,35,36)
InChIKeyOCOQMPPHKJBPIZ-UHFFFAOYSA-N
MW540.04 g/mol
LogP7.85
Rot. Bonds7

About N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-(3-morpholin-4-ylphenyl)quinolin-4-amine

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-(3-morpholin-4-ylphenyl)quinolin-4-amine (PubChem CID 118364939) has the molecular formula C32H27ClFN3O2 and a molecular weight of 540.04 g/mol. Its IUPAC name is N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-(3-morpholin-4-ylphenyl)quinolin-4-amine.

Molecular Properties

Compound NameN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-(3-morpholin-4-ylphenyl)quinolin-4-amine
PubChem CID118364939
Molecular FormulaC32H27ClFN3O2
Molecular Weight540.04 g/mol
Exact Mass539.18
IUPAC NameN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-(3-morpholin-4-ylphenyl)quinolin-4-amine
SMILESFc1cccc(COc2ccc(Nc3ccnc4cc(-c5cccc(N6CCOCC6)c5)ccc34)cc2Cl)c1
InChIInChI=1S/C32H27ClFN3O2/c33-29-20-26(8-10-32(29)39-21-22-3-1-5-25(34)17-22)36-30-11-12-35-31-19-24(7-9-28(30)31)23-4-2-6-27(18-23)37-13-15-38-16-14-37/h1-12,17-20H,13-16,21H2,(H,35,36)
InChIKeyOCOQMPPHKJBPIZ-UHFFFAOYSA-N
XLogP7.85
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.04
LogP ≤ 57.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-(3-morpholin-4-ylphenyl)quinolin-4-amine?
The IUPAC name of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-(3-morpholin-4-ylphenyl)quinolin-4-amine (CID 118364939) is N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-(3-morpholin-4-ylphenyl)quinolin-4-amine.
What is the SMILES notation for N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-(3-morpholin-4-ylphenyl)quinolin-4-amine?
The canonical SMILES for N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-(3-morpholin-4-ylphenyl)quinolin-4-amine is Fc1cccc(COc2ccc(Nc3ccnc4cc(-c5cccc(N6CCOCC6)c5)ccc34)cc2Cl)c1.
What is the InChIKey of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-(3-morpholin-4-ylphenyl)quinolin-4-amine?
The InChIKey is OCOQMPPHKJBPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27ClFN3O2/c33-29-20-26(8-10-32(29)39-21-22-3-1-5-25(34)17-22)36-30-11-12-35-31-19-24(7-9-28(30)31)23-4-2-6-27(18-23)37-13-15-38-16-14-37/h1-12,17-20H,13-16,21H2,(H,35,36).
What are the key properties of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-(3-morpholin-4-ylphenyl)quinolin-4-amine?
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-(3-morpholin-4-ylphenyl)quinolin-4-amine has a molecular weight of 540.04 g/mol, XLogP of 7.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-(3-morpholin-4-ylphenyl)quinolin-4-amine is sourced from PubChem (CID 118364939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).