N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1,8-naphthyridin-2-amine

C24H22N4O3 — CID 10960641

IUPACN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1,8-naphthyridin-2-amine
SMILESCOc1ccc(-c2cc3cccnc3nc2N/N=C/c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C24H22N4O3/c1-29-19-9-7-17(8-10-19)20-14-18-5-4-12-25-23(18)27-24(20)28-26-15-16-6-11-21(30-2)22(13-16)31-3/h4-15H,1-3H3,(H,25,27,28)/b26-15+
InChIKeyUVGCPIAHOIRPCN-CVKSISIWSA-N
MW414.47 g/mol
LogP4.77
Rot. Bonds7

About N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1,8-naphthyridin-2-amine

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1,8-naphthyridin-2-amine (PubChem CID 10960641) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1,8-naphthyridin-2-amine.

Molecular Properties

Compound NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1,8-naphthyridin-2-amine
PubChem CID10960641
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1,8-naphthyridin-2-amine
SMILESCOc1ccc(-c2cc3cccnc3nc2N/N=C/c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C24H22N4O3/c1-29-19-9-7-17(8-10-19)20-14-18-5-4-12-25-23(18)27-24(20)28-26-15-16-6-11-21(30-2)22(13-16)31-3/h4-15H,1-3H3,(H,25,27,28)/b26-15+
InChIKeyUVGCPIAHOIRPCN-CVKSISIWSA-N
XLogP4.77
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(4-methoxyphenyl)-1,8-naphthyridin-2-amine
CID 10982194
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinolin-8-amine
CID 171981198
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(4-chlorophenyl)-1,8-naphthyridin-2-amine
CID 11463797
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 6308548
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5,6-dimethyl-2-phenylpyrimidin-4-amine
CID 5332826
N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6413560
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine
CID 5338271
3,5-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 6217597
N-[(3,4-dimethoxyphenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine
CID 2846735
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine
CID 94848965
N-[(E)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxyaniline
CID 110508917
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 6898634

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1,8-naphthyridin-2-amine?
The IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1,8-naphthyridin-2-amine (CID 10960641) is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1,8-naphthyridin-2-amine.
What is the SMILES notation for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1,8-naphthyridin-2-amine?
The canonical SMILES for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1,8-naphthyridin-2-amine is COc1ccc(-c2cc3cccnc3nc2N/N=C/c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1,8-naphthyridin-2-amine?
The InChIKey is UVGCPIAHOIRPCN-CVKSISIWSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-29-19-9-7-17(8-10-19)20-14-18-5-4-12-25-23(18)27-24(20)28-26-15-16-6-11-21(30-2)22(13-16)31-3/h4-15H,1-3H3,(H,25,27,28)/b26-15+.
What are the key properties of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1,8-naphthyridin-2-amine?
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1,8-naphthyridin-2-amine has a molecular weight of 414.47 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1,8-naphthyridin-2-amine is sourced from PubChem (CID 10960641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).