2,2-dimethyl-5-[[(6-methylquinolin-7-yl)amino]methylidene]-1,3-dioxane-4,6-dione

C17H16N2O4 — CID 168540444

IUPAC2,2-dimethyl-5-[[(6-methylquinolin-7-yl)amino]methylidene]-1,3-dioxane-4,6-dione
SMILESCc1cc2cccnc2cc1NC=C1C(=O)OC(C)(C)OC1=O
InChIInChI=1S/C17H16N2O4/c1-10-7-11-5-4-6-18-14(11)8-13(10)19-9-12-15(20)22-17(2,3)23-16(12)21/h4-9,19H,1-3H3
InChIKeyCEKOISGQNYVCCE-UHFFFAOYSA-N
MW312.32 g/mol
LogP2.68
Rot. Bonds2

About 2,2-dimethyl-5-[[(6-methylquinolin-7-yl)amino]methylidene]-1,3-dioxane-4,6-dione

2,2-dimethyl-5-[[(6-methylquinolin-7-yl)amino]methylidene]-1,3-dioxane-4,6-dione (PubChem CID 168540444) has the molecular formula C17H16N2O4 and a molecular weight of 312.32 g/mol. Its IUPAC name is 2,2-dimethyl-5-[[(6-methylquinolin-7-yl)amino]methylidene]-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name2,2-dimethyl-5-[[(6-methylquinolin-7-yl)amino]methylidene]-1,3-dioxane-4,6-dione
PubChem CID168540444
Molecular FormulaC17H16N2O4
Molecular Weight312.32 g/mol
Exact Mass312.11
IUPAC Name2,2-dimethyl-5-[[(6-methylquinolin-7-yl)amino]methylidene]-1,3-dioxane-4,6-dione
SMILESCc1cc2cccnc2cc1NC=C1C(=O)OC(C)(C)OC1=O
InChIInChI=1S/C17H16N2O4/c1-10-7-11-5-4-6-18-14(11)8-13(10)19-9-12-15(20)22-17(2,3)23-16(12)21/h4-9,19H,1-3H3
InChIKeyCEKOISGQNYVCCE-UHFFFAOYSA-N
XLogP2.68
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 2,2-dimethyl-5-[[(6-methylquinolin-7-yl)amino]methylidene]-1,3-dioxane-4,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-methylquinolin-7-yl)formamide
CID 168651780
5-[(4-bromo-2,5-dimethylanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168536761
5-[(2,3-difluoro-4-methylanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168540307
5-[(4-bromo-5-chloro-2-methylanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168536631
5-[(2-chloro-3-methylanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168540827
2,2-dimethyl-5-[(4-pyrimidin-2-ylanilino)methylidene]-1,3-dioxane-4,6-dione
CID 168537255
5-[(2-hydroxy-3,4-dimethylanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168537460
3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-4-methylbenzamide
CID 168540819
5-[(2,4-dichloro-5-methylanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168540834
5-[[(2,6-dimethoxy-3-pyridinyl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 166118883
2,2-dimethyl-5-[(1H-pyrazol-5-ylamino)methylidene]-1,3-dioxane-4,6-dione
CID 10585937
5-[(2,3-difluoroanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168541140

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[[(6-methylquinolin-7-yl)amino]methylidene]-1,3-dioxane-4,6-dione?
The IUPAC name of 2,2-dimethyl-5-[[(6-methylquinolin-7-yl)amino]methylidene]-1,3-dioxane-4,6-dione (CID 168540444) is 2,2-dimethyl-5-[[(6-methylquinolin-7-yl)amino]methylidene]-1,3-dioxane-4,6-dione.
What is the SMILES notation for 2,2-dimethyl-5-[[(6-methylquinolin-7-yl)amino]methylidene]-1,3-dioxane-4,6-dione?
The canonical SMILES for 2,2-dimethyl-5-[[(6-methylquinolin-7-yl)amino]methylidene]-1,3-dioxane-4,6-dione is Cc1cc2cccnc2cc1NC=C1C(=O)OC(C)(C)OC1=O.
What is the InChIKey of 2,2-dimethyl-5-[[(6-methylquinolin-7-yl)amino]methylidene]-1,3-dioxane-4,6-dione?
The InChIKey is CEKOISGQNYVCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-10-7-11-5-4-6-18-14(11)8-13(10)19-9-12-15(20)22-17(2,3)23-16(12)21/h4-9,19H,1-3H3.
What are the key properties of 2,2-dimethyl-5-[[(6-methylquinolin-7-yl)amino]methylidene]-1,3-dioxane-4,6-dione?
2,2-dimethyl-5-[[(6-methylquinolin-7-yl)amino]methylidene]-1,3-dioxane-4,6-dione has a molecular weight of 312.32 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[[(6-methylquinolin-7-yl)amino]methylidene]-1,3-dioxane-4,6-dione is sourced from PubChem (CID 168540444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).