N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-phenylaniline

C29H24N2O3 — CID 23022656

IUPACN-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-phenylaniline
SMILESCOc1cc2nccc(Oc3ccc(Nc4ccc(-c5ccccc5)cc4)cc3)c2cc1OC
InChIInChI=1S/C29H24N2O3/c1-32-28-18-25-26(19-29(28)33-2)30-17-16-27(25)34-24-14-12-23(13-15-24)31-22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-19,31H,1-2H3
InChIKeyOMVNMDUDZWSHLS-UHFFFAOYSA-N
MW448.52 g/mol
LogP7.45
Rot. Bonds7

About N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-phenylaniline

N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-phenylaniline (PubChem CID 23022656) has the molecular formula C29H24N2O3 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-phenylaniline
PubChem CID23022656
Molecular FormulaC29H24N2O3
Molecular Weight448.52 g/mol
Exact Mass448.18
IUPAC NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-phenylaniline
SMILESCOc1cc2nccc(Oc3ccc(Nc4ccc(-c5ccccc5)cc4)cc3)c2cc1OC
InChIInChI=1S/C29H24N2O3/c1-32-28-18-25-26(19-29(28)33-2)30-17-16-27(25)34-24-14-12-23(13-15-24)31-22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-19,31H,1-2H3
InChIKeyOMVNMDUDZWSHLS-UHFFFAOYSA-N
XLogP7.45
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-phenylpyridazin-3-amine
CID 11857506
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-phenylpyridine-3-carboxamide
CID 24966402
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
methane;4,6,7-trimethoxyquinoline
CID 157066291
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea
CID 23084603
7-iodo-6-methoxy-4-phenoxyquinoline
CID 90048384
6,7-dimethoxy-N-(4-naphthalen-2-yloxyphenyl)quinolin-4-amine
CID 166515203
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[(2-methoxyphenyl)carbamoyl]urea
CID 22935499
6-methoxy-N-methyl-4-[4-(methylamino)phenoxy]quinolin-7-amine
CID 163694913

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-phenylaniline?
The IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-phenylaniline (CID 23022656) is N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-phenylaniline.
What is the SMILES notation for N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-phenylaniline?
The canonical SMILES for N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-phenylaniline is COc1cc2nccc(Oc3ccc(Nc4ccc(-c5ccccc5)cc4)cc3)c2cc1OC.
What is the InChIKey of N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-phenylaniline?
The InChIKey is OMVNMDUDZWSHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O3/c1-32-28-18-25-26(19-29(28)33-2)30-17-16-27(25)34-24-14-12-23(13-15-24)31-22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-19,31H,1-2H3.
What are the key properties of N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-phenylaniline?
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-phenylaniline has a molecular weight of 448.52 g/mol, XLogP of 7.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-phenylaniline is sourced from PubChem (CID 23022656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).