N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-amine

C20H19N3O4 — CID 13285422

IUPACN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-amine
SMILESCOc1ccc(/C=N/Nc2cc(C)nc3cc4c(cc23)OCO4)cc1OC
InChIInChI=1S/C20H19N3O4/c1-12-6-16(14-8-19-20(27-11-26-19)9-15(14)22-12)23-21-10-13-4-5-17(24-2)18(7-13)25-3/h4-10H,11H2,1-3H3,(H,22,23)/b21-10+
InChIKeyUKSMGPKZQLHGAX-UFFVCSGVSA-N
MW365.39 g/mol
LogP3.74
Rot. Bonds5

About N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-amine

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-amine (PubChem CID 13285422) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-amine.

Molecular Properties

Compound NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-amine
PubChem CID13285422
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-amine
SMILESCOc1ccc(/C=N/Nc2cc(C)nc3cc4c(cc23)OCO4)cc1OC
InChIInChI=1S/C20H19N3O4/c1-12-6-16(14-8-19-20(27-11-26-19)9-15(14)22-12)23-21-10-13-4-5-17(24-2)18(7-13)25-3/h4-10H,11H2,1-3H3,(H,22,23)/b21-10+
InChIKeyUKSMGPKZQLHGAX-UFFVCSGVSA-N
XLogP3.74
TPSA74.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.74
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'}

Analyze N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-amine with MolForge

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Related Compounds

N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-methylquinolin-4-amine
CID 56728889
2-methoxy-4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]phenol
CID 137266020
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-methyl-1,3-benzodioxole-5-sulfonamide
CID 162646099
N-[(4-fluorophenyl)methylideneamino]-7-methoxy-2-methylquinolin-4-amine
CID 44537115
N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013570
8-methoxy-2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine
CID 44537227
N-[(2,4-dimethoxyphenyl)methylideneamino]-2,6-dimethylquinolin-4-amine
CID 3141487
N-[(3-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine
CID 44537106
N-[(E)-(3-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine
CID 45480852
N-[(3,4-dimethoxyphenyl)methylideneamino]-1,3-benzoxazol-2-amine
CID 3111005
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinolin-8-amine
CID 171981198
N-(1,3-benzodioxol-5-ylmethylideneamino)-3,4-dimethoxybenzamide
CID 2063694

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-amine?
The IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-amine (CID 13285422) is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-amine.
What is the SMILES notation for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-amine?
The canonical SMILES for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-amine is COc1ccc(/C=N/Nc2cc(C)nc3cc4c(cc23)OCO4)cc1OC.
What is the InChIKey of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-amine?
The InChIKey is UKSMGPKZQLHGAX-UFFVCSGVSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-12-6-16(14-8-19-20(27-11-26-19)9-15(14)22-12)23-21-10-13-4-5-17(24-2)18(7-13)25-3/h4-10H,11H2,1-3H3,(H,22,23)/b21-10+.
What are the key properties of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-amine?
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-amine has a molecular weight of 365.39 g/mol, XLogP of 3.74, 5 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]-6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-amine is sourced from PubChem (CID 13285422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).