1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-4,5-dicarbonitrile

C24H22FN5O — CID 2973054

IUPAC1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-4,5-dicarbonitrile
SMILESCC1CCc2cc(F)ccc2N1C(=O)C12CCC(c3nc(C#N)c(C#N)nc31)C2(C)C
InChIInChI=1S/C24H22FN5O/c1-13-4-5-14-10-15(25)6-7-19(14)30(13)22(31)24-9-8-16(23(24,2)3)20-21(24)29-18(12-27)17(11-26)28-20/h6-7,10,13,16H,4-5,8-9H2,1-3H3
InChIKeyGPUKJBWKCSSIMY-UHFFFAOYSA-N
MW415.47 g/mol
LogP3.88
Rot. Bonds1

About 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-4,5-dicarbonitrile

1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-4,5-dicarbonitrile (PubChem CID 2973054) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-4,5-dicarbonitrile
PubChem CID2973054
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC Name1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-4,5-dicarbonitrile
SMILESCC1CCc2cc(F)ccc2N1C(=O)C12CCC(c3nc(C#N)c(C#N)nc31)C2(C)C
InChIInChI=1S/C24H22FN5O/c1-13-4-5-14-10-15(25)6-7-19(14)30(13)22(31)24-9-8-16(23(24,2)3)20-21(24)29-18(12-27)17(11-26)28-20/h6-7,10,13,16H,4-5,8-9H2,1-3H3
InChIKeyGPUKJBWKCSSIMY-UHFFFAOYSA-N
XLogP3.88
TPSA93.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-4,5-dicarbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-4,5-dicarbonitrile?
The IUPAC name of 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-4,5-dicarbonitrile (CID 2973054) is 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-4,5-dicarbonitrile.
What is the SMILES notation for 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-4,5-dicarbonitrile?
The canonical SMILES for 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-4,5-dicarbonitrile is CC1CCc2cc(F)ccc2N1C(=O)C12CCC(c3nc(C#N)c(C#N)nc31)C2(C)C.
What is the InChIKey of 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-4,5-dicarbonitrile?
The InChIKey is GPUKJBWKCSSIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O/c1-13-4-5-14-10-15(25)6-7-19(14)30(13)22(31)24-9-8-16(23(24,2)3)20-21(24)29-18(12-27)17(11-26)28-20/h6-7,10,13,16H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-4,5-dicarbonitrile?
1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-4,5-dicarbonitrile has a molecular weight of 415.47 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-4,5-dicarbonitrile is sourced from PubChem (CID 2973054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).