N-(2,4-dichloro-5-methoxyphenyl)-7-[4-(1-methoxyethoxy)phenyl]quinolin-4-amine

C25H22Cl2N2O3 — CID 68555862

IUPACN-(2,4-dichloro-5-methoxyphenyl)-7-[4-(1-methoxyethoxy)phenyl]quinolin-4-amine
SMILESCOc1cc(Nc2ccnc3cc(-c4ccc(OC(C)OC)cc4)ccc23)c(Cl)cc1Cl
InChIInChI=1S/C25H22Cl2N2O3/c1-15(30-2)32-18-7-4-16(5-8-18)17-6-9-19-22(10-11-28-23(19)12-17)29-24-14-25(31-3)21(27)13-20(24)26/h4-15H,1-3H3,(H,28,29)
InChIKeyVTNFYWXKGNULPJ-UHFFFAOYSA-N
MW469.37 g/mol
LogP7.33
Rot. Bonds7

About N-(2,4-dichloro-5-methoxyphenyl)-7-[4-(1-methoxyethoxy)phenyl]quinolin-4-amine

N-(2,4-dichloro-5-methoxyphenyl)-7-[4-(1-methoxyethoxy)phenyl]quinolin-4-amine (PubChem CID 68555862) has the molecular formula C25H22Cl2N2O3 and a molecular weight of 469.37 g/mol. Its IUPAC name is N-(2,4-dichloro-5-methoxyphenyl)-7-[4-(1-methoxyethoxy)phenyl]quinolin-4-amine.

Molecular Properties

Compound NameN-(2,4-dichloro-5-methoxyphenyl)-7-[4-(1-methoxyethoxy)phenyl]quinolin-4-amine
PubChem CID68555862
Molecular FormulaC25H22Cl2N2O3
Molecular Weight469.37 g/mol
Exact Mass468.10
IUPAC NameN-(2,4-dichloro-5-methoxyphenyl)-7-[4-(1-methoxyethoxy)phenyl]quinolin-4-amine
SMILESCOc1cc(Nc2ccnc3cc(-c4ccc(OC(C)OC)cc4)ccc23)c(Cl)cc1Cl
InChIInChI=1S/C25H22Cl2N2O3/c1-15(30-2)32-18-7-4-16(5-8-18)17-6-9-19-22(10-11-28-23(19)12-17)29-24-14-25(31-3)21(27)13-20(24)26/h4-15H,1-3H3,(H,28,29)
InChIKeyVTNFYWXKGNULPJ-UHFFFAOYSA-N
XLogP7.33
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.37
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-6,7-dimethoxyquinolin-4-amine
CID 53264749
7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane
CID 153341767
N-(3-chloro-2-methylphenyl)-7-methoxyquinolin-4-amine
CID 50877911
4-(2,4-dichloro-5-methoxyanilino)-7-phenylquinoline-3-carbonitrile
CID 141040646
4-(2,4-dichloro-5-methoxyanilino)-7-(furan-2-yl)quinoline-3-carbonitrile
CID 68913966
7-bromo-N-(2,4-dimethoxyphenyl)quinolin-4-amine
CID 50877851
7-bromo-N-(2,5-dimethoxyphenyl)quinolin-4-amine
CID 50877861
4-[4-[2,4-dichloro-5-(trideuteriomethoxy)anilino]-6-methoxyquinolin-7-yl]furan-2-carbaldehyde
CID 141358842
N-(3-chloro-4-methoxyphenyl)-7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]quinolin-4-amine
CID 155560034
7-(4-methylsulfonylphenyl)-N-[2-(4-propan-2-yloxyphenyl)-4-pyridinyl]quinolin-4-amine
CID 164620647
N-[4-[6-amino-4-(4-methoxyphenyl)-2-pyridinyl]phenyl]-7-chloroquinolin-4-amine
CID 10766086
4,7-dimethoxyquinoline
CID 20743716

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichloro-5-methoxyphenyl)-7-[4-(1-methoxyethoxy)phenyl]quinolin-4-amine?
The IUPAC name of N-(2,4-dichloro-5-methoxyphenyl)-7-[4-(1-methoxyethoxy)phenyl]quinolin-4-amine (CID 68555862) is N-(2,4-dichloro-5-methoxyphenyl)-7-[4-(1-methoxyethoxy)phenyl]quinolin-4-amine.
What is the SMILES notation for N-(2,4-dichloro-5-methoxyphenyl)-7-[4-(1-methoxyethoxy)phenyl]quinolin-4-amine?
The canonical SMILES for N-(2,4-dichloro-5-methoxyphenyl)-7-[4-(1-methoxyethoxy)phenyl]quinolin-4-amine is COc1cc(Nc2ccnc3cc(-c4ccc(OC(C)OC)cc4)ccc23)c(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichloro-5-methoxyphenyl)-7-[4-(1-methoxyethoxy)phenyl]quinolin-4-amine?
The InChIKey is VTNFYWXKGNULPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2N2O3/c1-15(30-2)32-18-7-4-16(5-8-18)17-6-9-19-22(10-11-28-23(19)12-17)29-24-14-25(31-3)21(27)13-20(24)26/h4-15H,1-3H3,(H,28,29).
What are the key properties of N-(2,4-dichloro-5-methoxyphenyl)-7-[4-(1-methoxyethoxy)phenyl]quinolin-4-amine?
N-(2,4-dichloro-5-methoxyphenyl)-7-[4-(1-methoxyethoxy)phenyl]quinolin-4-amine has a molecular weight of 469.37 g/mol, XLogP of 7.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichloro-5-methoxyphenyl)-7-[4-(1-methoxyethoxy)phenyl]quinolin-4-amine is sourced from PubChem (CID 68555862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).