7,9-difluoro-2,2,4-trimethyl-5-prop-1-ynyl-1,5-dihydrochromeno[3,4-f]quinoline

C22H19F2NO — CID 10338016

About 7,9-difluoro-2,2,4-trimethyl-5-prop-1-ynyl-1,5-dihydrochromeno[3,4-f]quinoline

7,9-difluoro-2,2,4-trimethyl-5-prop-1-ynyl-1,5-dihydrochromeno[3,4-f]quinoline (PubChem CID 10338016) has the molecular formula C22H19F2NO and a molecular weight of 351.40 g/mol. Its IUPAC name is 7,9-difluoro-2,2,4-trimethyl-5-prop-1-ynyl-1,5-dihydrochromeno[3,4-f]quinoline.

Molecular Properties

• Compound Name: 7,9-difluoro-2,2,4-trimethyl-5-prop-1-ynyl-1,5-dihydrochromeno[3,4-f]quinoline
• PubChem CID: 10338016
• Molecular Formula: C22H19F2NO
• Molecular Weight: 351.40 g/mol
• Exact Mass: 351.14
• IUPAC Name: 7,9-difluoro-2,2,4-trimethyl-5-prop-1-ynyl-1,5-dihydrochromeno[3,4-f]quinoline
• SMILES: CC#CC1Oc2c(F)cc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3
• InChI: InChI=1S/C22H19F2NO/c1-5-6-18-20-14(15-9-13(23)10-16(24)21(15)26-18)7-8-17-19(20)12(2)11-22(3,4)25-17/h7-11,18,25H,1-4H3
• InChIKey: YCSXPXWKALKBPL-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	351.40
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7,9-difluoro-2,2,4-trimethyl-5-prop-1-ynyl-1,5-dihydrochromeno[3,4-f]quinoline?

The IUPAC name of 7,9-difluoro-2,2,4-trimethyl-5-prop-1-ynyl-1,5-dihydrochromeno[3,4-f]quinoline (CID 10338016) is 7,9-difluoro-2,2,4-trimethyl-5-prop-1-ynyl-1,5-dihydrochromeno[3,4-f]quinoline.

What is the SMILES notation for 7,9-difluoro-2,2,4-trimethyl-5-prop-1-ynyl-1,5-dihydrochromeno[3,4-f]quinoline?

The canonical SMILES for 7,9-difluoro-2,2,4-trimethyl-5-prop-1-ynyl-1,5-dihydrochromeno[3,4-f]quinoline is CC#CC1Oc2c(F)cc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3.

What is the InChIKey of 7,9-difluoro-2,2,4-trimethyl-5-prop-1-ynyl-1,5-dihydrochromeno[3,4-f]quinoline?

The InChIKey is YCSXPXWKALKBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2NO/c1-5-6-18-20-14(15-9-13(23)10-16(24)21(15)26-18)7-8-17-19(20)12(2)11-22(3,4)25-17/h7-11,18,25H,1-4H3.

What are the key properties of 7,9-difluoro-2,2,4-trimethyl-5-prop-1-ynyl-1,5-dihydrochromeno[3,4-f]quinoline?

7,9-difluoro-2,2,4-trimethyl-5-prop-1-ynyl-1,5-dihydrochromeno[3,4-f]quinoline has a molecular weight of 351.40 g/mol, XLogP of 5.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7,9-difluoro-2,2,4-trimethyl-5-prop-1-ynyl-1,5-dihydrochromeno[3,4-f]quinoline is sourced from PubChem (CID 10338016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).