N-[(Z)-[5,7-dimethoxy-3-(4-methoxyphenyl)-1-methylquinolin-2-ylidene]amino]aniline

C25H25N3O3 — CID 10884201

IUPACN-[(Z)-[5,7-dimethoxy-3-(4-methoxyphenyl)-1-methylquinolin-2-ylidene]amino]aniline
SMILESCOc1ccc(-c2cc3c(OC)cc(OC)cc3n(C)/c2=N\Nc2ccccc2)cc1
InChIInChI=1S/C25H25N3O3/c1-28-23-14-20(30-3)15-24(31-4)22(23)16-21(17-10-12-19(29-2)13-11-17)25(28)27-26-18-8-6-5-7-9-18/h5-16,26H,1-4H3/b27-25-
InChIKeyAGFRIFGJACNPFZ-RFBIWTDZSA-N
MW415.49 g/mol
LogP4.80
Rot. Bonds6

About N-[(Z)-[5,7-dimethoxy-3-(4-methoxyphenyl)-1-methylquinolin-2-ylidene]amino]aniline

N-[(Z)-[5,7-dimethoxy-3-(4-methoxyphenyl)-1-methylquinolin-2-ylidene]amino]aniline (PubChem CID 10884201) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[(Z)-[5,7-dimethoxy-3-(4-methoxyphenyl)-1-methylquinolin-2-ylidene]amino]aniline.

Molecular Properties

Compound NameN-[(Z)-[5,7-dimethoxy-3-(4-methoxyphenyl)-1-methylquinolin-2-ylidene]amino]aniline
PubChem CID10884201
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-[(Z)-[5,7-dimethoxy-3-(4-methoxyphenyl)-1-methylquinolin-2-ylidene]amino]aniline
SMILESCOc1ccc(-c2cc3c(OC)cc(OC)cc3n(C)/c2=N\Nc2ccccc2)cc1
InChIInChI=1S/C25H25N3O3/c1-28-23-14-20(30-3)15-24(31-4)22(23)16-21(17-10-12-19(29-2)13-11-17)25(28)27-26-18-8-6-5-7-9-18/h5-16,26H,1-4H3/b27-25-
InChIKeyAGFRIFGJACNPFZ-RFBIWTDZSA-N
XLogP4.80
TPSA57.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[2-(4-methoxyphenyl)-6,7-dimethylchromen-4-ylidene]amino]aniline
CID 7730775
2,7-dimethoxy-9-methyl-3,6-diphenylcarbazole
CID 143239757
N-[(2,4,6-trimethoxyphenyl)methylideneamino]aniline
CID 169381531
benzyl 3-[5,7-dimethoxy-3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]propanoate
CID 10972777
N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]aniline
CID 126015225
N-[(Z)-[6,8-dichloro-2-(4-methoxyphenyl)chromen-4-ylidene]amino]aniline
CID 7730821
5,7-dimethoxy-3-phenylchromen-2-one
CID 10493138
1-(4-methoxyphenyl)-3-methyl-6,7-diphenyl-4-(phenylhydrazinylidene)pteridin-2-one
CID 172970408
3,5-dimethoxy-2-[(phenylhydrazinylidene)methyl]phenol
CID 4137951
3-(4-methoxyphenyl)-1-methyl-5-(4-methylphenyl)-2-phenylpyrrole
CID 10959140
2-[3-(4-hydroxyphenyl)-5,7-dimethoxy-2-oxoquinolin-1-yl]acetic acid
CID 70195964
N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-methoxyaniline
CID 110509075

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5,7-dimethoxy-3-(4-methoxyphenyl)-1-methylquinolin-2-ylidene]amino]aniline?
The IUPAC name of N-[(Z)-[5,7-dimethoxy-3-(4-methoxyphenyl)-1-methylquinolin-2-ylidene]amino]aniline (CID 10884201) is N-[(Z)-[5,7-dimethoxy-3-(4-methoxyphenyl)-1-methylquinolin-2-ylidene]amino]aniline.
What is the SMILES notation for N-[(Z)-[5,7-dimethoxy-3-(4-methoxyphenyl)-1-methylquinolin-2-ylidene]amino]aniline?
The canonical SMILES for N-[(Z)-[5,7-dimethoxy-3-(4-methoxyphenyl)-1-methylquinolin-2-ylidene]amino]aniline is COc1ccc(-c2cc3c(OC)cc(OC)cc3n(C)/c2=N\Nc2ccccc2)cc1.
What is the InChIKey of N-[(Z)-[5,7-dimethoxy-3-(4-methoxyphenyl)-1-methylquinolin-2-ylidene]amino]aniline?
The InChIKey is AGFRIFGJACNPFZ-RFBIWTDZSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-28-23-14-20(30-3)15-24(31-4)22(23)16-21(17-10-12-19(29-2)13-11-17)25(28)27-26-18-8-6-5-7-9-18/h5-16,26H,1-4H3/b27-25-.
What are the key properties of N-[(Z)-[5,7-dimethoxy-3-(4-methoxyphenyl)-1-methylquinolin-2-ylidene]amino]aniline?
N-[(Z)-[5,7-dimethoxy-3-(4-methoxyphenyl)-1-methylquinolin-2-ylidene]amino]aniline has a molecular weight of 415.49 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5,7-dimethoxy-3-(4-methoxyphenyl)-1-methylquinolin-2-ylidene]amino]aniline is sourced from PubChem (CID 10884201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).