6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;N-(3-phenoxyphenyl)quinolin-4-amine;dihydrochloride

C44H38Cl2N4O4 — CID 67730198

IUPAC6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;N-(3-phenoxyphenyl)quinolin-4-amine;dihydrochloride
SMILESCOc1cc2nccc(Nc3cccc(Oc4ccccc4)c3)c2cc1OC.Cl.Cl.c1ccc(Oc2cccc(Nc3ccnc4ccccc34)c2)cc1
InChIInChI=1S/C23H20N2O3.C21H16N2O.2ClH/c1-26-22-14-19-20(11-12-24-21(19)15-23(22)27-2)25-16-7-6-10-18(13-16)28-17-8-4-3-5-9-17;1-2-8-17(9-3-1)24-18-10-6-7-16(15-18)23-21-13-14-22-20-12-5-4-11-19(20)21;;/h3-15H,1-2H3,(H,24,25);1-15H,(H,22,23);2*1H
InChIKeyIBLAKNGDCODEKL-UHFFFAOYSA-N
MW757.72 g/mol
LogP12.40
Rot. Bonds10

About 6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;N-(3-phenoxyphenyl)quinolin-4-amine;dihydrochloride

6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;N-(3-phenoxyphenyl)quinolin-4-amine;dihydrochloride (PubChem CID 67730198) has the molecular formula C44H38Cl2N4O4 and a molecular weight of 757.72 g/mol. Its IUPAC name is 6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;N-(3-phenoxyphenyl)quinolin-4-amine;dihydrochloride.

Molecular Properties

Compound Name6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;N-(3-phenoxyphenyl)quinolin-4-amine;dihydrochloride
PubChem CID67730198
Molecular FormulaC44H38Cl2N4O4
Molecular Weight757.72 g/mol
Exact Mass756.23
IUPAC Name6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;N-(3-phenoxyphenyl)quinolin-4-amine;dihydrochloride
SMILESCOc1cc2nccc(Nc3cccc(Oc4ccccc4)c3)c2cc1OC.Cl.Cl.c1ccc(Oc2cccc(Nc3ccnc4ccccc34)c2)cc1
InChIInChI=1S/C23H20N2O3.C21H16N2O.2ClH/c1-26-22-14-19-20(11-12-24-21(19)15-23(22)27-2)25-16-7-6-10-18(13-16)28-17-8-4-3-5-9-17;1-2-8-17(9-3-1)24-18-10-6-7-16(15-18)23-21-13-14-22-20-12-5-4-11-19(20)21;;/h3-15H,1-2H3,(H,24,25);1-15H,(H,22,23);2*1H
InChIKeyIBLAKNGDCODEKL-UHFFFAOYSA-N
XLogP12.40
TPSA86.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.72
LogP ≤ 512.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-phenoxyphenyl)quinolin-4-amine
CID 44531074
6,7-dimethoxy-N-(3-methoxyphenyl)quinolin-4-amine
CID 53264717
6,7-dimethoxy-N-(4-naphthalen-2-yloxyphenyl)quinolin-4-amine
CID 166515203
3-[(6,7-dimethoxyquinolin-4-yl)amino]phenol;hydrochloride
CID 22646651
N-(4-phenoxyphenyl)quinolin-4-amine;hydrochloride
CID 67699123
N-(4-phenoxyphenyl)quinolin-4-amine
CID 44585573
2-[[3-[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenoxy]phenyl]methoxy]benzonitrile
CID 90071525
N-(4-methoxy-3-methylphenyl)quinolin-4-amine
CID 142581718
7-chloro-N-(3-methoxyphenyl)quinolin-4-amine
CID 50877151
N-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 54359484
4-(3-chloroanilino)-7-methoxyquinolin-6-ol
CID 25000015
N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinolin-4-amine
CID 24999709

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;N-(3-phenoxyphenyl)quinolin-4-amine;dihydrochloride?
The IUPAC name of 6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;N-(3-phenoxyphenyl)quinolin-4-amine;dihydrochloride (CID 67730198) is 6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;N-(3-phenoxyphenyl)quinolin-4-amine;dihydrochloride.
What is the SMILES notation for 6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;N-(3-phenoxyphenyl)quinolin-4-amine;dihydrochloride?
The canonical SMILES for 6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;N-(3-phenoxyphenyl)quinolin-4-amine;dihydrochloride is COc1cc2nccc(Nc3cccc(Oc4ccccc4)c3)c2cc1OC.Cl.Cl.c1ccc(Oc2cccc(Nc3ccnc4ccccc34)c2)cc1.
What is the InChIKey of 6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;N-(3-phenoxyphenyl)quinolin-4-amine;dihydrochloride?
The InChIKey is IBLAKNGDCODEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3.C21H16N2O.2ClH/c1-26-22-14-19-20(11-12-24-21(19)15-23(22)27-2)25-16-7-6-10-18(13-16)28-17-8-4-3-5-9-17;1-2-8-17(9-3-1)24-18-10-6-7-16(15-18)23-21-13-14-22-20-12-5-4-11-19(20)21;;/h3-15H,1-2H3,(H,24,25);1-15H,(H,22,23);2*1H.
What are the key properties of 6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;N-(3-phenoxyphenyl)quinolin-4-amine;dihydrochloride?
6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;N-(3-phenoxyphenyl)quinolin-4-amine;dihydrochloride has a molecular weight of 757.72 g/mol, XLogP of 12.40, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;N-(3-phenoxyphenyl)quinolin-4-amine;dihydrochloride is sourced from PubChem (CID 67730198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).