2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine

C20H21N3O3 — CID 3141481

IUPAC2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine
SMILESCOc1cc(C=NNc2cc(C)nc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C20H21N3O3/c1-13-9-17(15-7-5-6-8-16(15)22-13)23-21-12-14-10-18(24-2)20(26-4)19(11-14)25-3/h5-12H,1-4H3,(H,22,23)
InChIKeyMMDRJXPEOAWMAA-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.02
Rot. Bonds6

About 2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine

2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine (PubChem CID 3141481) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine
PubChem CID3141481
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine
SMILESCOc1cc(C=NNc2cc(C)nc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C20H21N3O3/c1-13-9-17(15-7-5-6-8-16(15)22-13)23-21-12-14-10-18(24-2)20(26-4)19(11-14)25-3/h5-12H,1-4H3,(H,22,23)
InChIKeyMMDRJXPEOAWMAA-UHFFFAOYSA-N
XLogP4.02
TPSA64.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine?
The IUPAC name of 2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine (CID 3141481) is 2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine.
What is the SMILES notation for 2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine?
The canonical SMILES for 2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine is COc1cc(C=NNc2cc(C)nc3ccccc23)cc(OC)c1OC.
What is the InChIKey of 2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine?
The InChIKey is MMDRJXPEOAWMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-9-17(15-7-5-6-8-16(15)22-13)23-21-12-14-10-18(24-2)20(26-4)19(11-14)25-3/h5-12H,1-4H3,(H,22,23).
What are the key properties of 2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine?
2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine has a molecular weight of 351.41 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine is sourced from PubChem (CID 3141481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).