6-methyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-[1,3]dioxolo[4,5-g]quinolin-8-amine

C19H14F3N3O2 — CID 66552798

IUPAC6-methyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-[1,3]dioxolo[4,5-g]quinolin-8-amine
SMILESCc1cc(N/N=C/c2ccccc2C(F)(F)F)c2cc3c(cc2n1)OCO3
InChIInChI=1S/C19H14F3N3O2/c1-11-6-16(13-7-17-18(27-10-26-17)8-15(13)24-11)25-23-9-12-4-2-3-5-14(12)19(20,21)22/h2-9H,10H2,1H3,(H,24,25)/b23-9+
InChIKeyMFUPVANLWGIZAM-NUGSKGIGSA-N
MW373.33 g/mol
LogP4.74
Rot. Bonds3

About 6-methyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-[1,3]dioxolo[4,5-g]quinolin-8-amine

6-methyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-[1,3]dioxolo[4,5-g]quinolin-8-amine (PubChem CID 66552798) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is 6-methyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-[1,3]dioxolo[4,5-g]quinolin-8-amine.

Molecular Properties

Compound Name6-methyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-[1,3]dioxolo[4,5-g]quinolin-8-amine
PubChem CID66552798
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC Name6-methyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-[1,3]dioxolo[4,5-g]quinolin-8-amine
SMILESCc1cc(N/N=C/c2ccccc2C(F)(F)F)c2cc3c(cc2n1)OCO3
InChIInChI=1S/C19H14F3N3O2/c1-11-6-16(13-7-17-18(27-10-26-17)8-15(13)24-11)25-23-9-12-4-2-3-5-14(12)19(20,21)22/h2-9H,10H2,1H3,(H,24,25)/b23-9+
InChIKeyMFUPVANLWGIZAM-NUGSKGIGSA-N
XLogP4.74
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-methyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-[1,3]dioxolo[4,5-g]quinolin-8-amine?
The IUPAC name of 6-methyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-[1,3]dioxolo[4,5-g]quinolin-8-amine (CID 66552798) is 6-methyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-[1,3]dioxolo[4,5-g]quinolin-8-amine.
What is the SMILES notation for 6-methyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-[1,3]dioxolo[4,5-g]quinolin-8-amine?
The canonical SMILES for 6-methyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-[1,3]dioxolo[4,5-g]quinolin-8-amine is Cc1cc(N/N=C/c2ccccc2C(F)(F)F)c2cc3c(cc2n1)OCO3.
What is the InChIKey of 6-methyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-[1,3]dioxolo[4,5-g]quinolin-8-amine?
The InChIKey is MFUPVANLWGIZAM-NUGSKGIGSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c1-11-6-16(13-7-17-18(27-10-26-17)8-15(13)24-11)25-23-9-12-4-2-3-5-14(12)19(20,21)22/h2-9H,10H2,1H3,(H,24,25)/b23-9+.
What are the key properties of 6-methyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-[1,3]dioxolo[4,5-g]quinolin-8-amine?
6-methyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-[1,3]dioxolo[4,5-g]quinolin-8-amine has a molecular weight of 373.33 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-[1,3]dioxolo[4,5-g]quinolin-8-amine is sourced from PubChem (CID 66552798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).