4-amino-7-chloro-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

C23H18ClF3N6O2 — CID 163382939

About 4-amino-7-chloro-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

4-amino-7-chloro-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (PubChem CID 163382939) has the molecular formula C23H18ClF3N6O2 and a molecular weight of 502.88 g/mol. Its IUPAC name is 4-amino-7-chloro-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

Molecular Properties

• Compound Name: 4-amino-7-chloro-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
• PubChem CID: 163382939
• Molecular Formula: C23H18ClF3N6O2
• Molecular Weight: 502.88 g/mol
• Exact Mass: 502.11
• IUPAC Name: 4-amino-7-chloro-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
• SMILES: Cn1cc(N(Cc2ccc(C(F)(F)F)cn2)C(=O)c2cc3c4c(c(N)nc3cc2Cl)COC4)cn1
• InChI: InChI=1S/C23H18ClF3N6O2/c1-32-9-14(7-30-32)33(8-13-3-2-12(6-29-13)23(25,26)27)22(34)16-4-15-17-10-35-11-18(17)21(28)31-20(15)5-19(16)24/h2-7,9H,8,10-11H2,1H3,(H2,28,31)
• InChIKey: UVPNWCAHVMWAKE-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 99.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.88
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-chloro-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?

The IUPAC name of 4-amino-7-chloro-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (CID 163382939) is 4-amino-7-chloro-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

What is the SMILES notation for 4-amino-7-chloro-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?

The canonical SMILES for 4-amino-7-chloro-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is Cn1cc(N(Cc2ccc(C(F)(F)F)cn2)C(=O)c2cc3c4c(c(N)nc3cc2Cl)COC4)cn1.

What is the InChIKey of 4-amino-7-chloro-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?

The InChIKey is UVPNWCAHVMWAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF3N6O2/c1-32-9-14(7-30-32)33(8-13-3-2-12(6-29-13)23(25,26)27)22(34)16-4-15-17-10-35-11-18(17)21(28)31-20(15)5-19(16)24/h2-7,9H,8,10-11H2,1H3,(H2,28,31).

What are the key properties of 4-amino-7-chloro-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?

4-amino-7-chloro-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide has a molecular weight of 502.88 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-7-chloro-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 163382939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).