4-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-(1-fluoropropan-2-yl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

C22H20FN5O2 — CID 163383193

IUPAC4-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-(1-fluoropropan-2-yl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESCC(CF)N(Cc1ccc(C#N)cn1)C(=O)c1ccc2nc(N)c3c(c2c1)COC3
InChIInChI=1S/C22H20FN5O2/c1-13(7-23)28(10-16-4-2-14(8-24)9-26-16)22(29)15-3-5-20-17(6-15)18-11-30-12-19(18)21(25)27-20/h2-6,9,13H,7,10-12H2,1H3,(H2,25,27)
InChIKeyMMLMBYQGQJSSGB-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.11
Rot. Bonds5

About 4-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-(1-fluoropropan-2-yl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

4-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-(1-fluoropropan-2-yl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (PubChem CID 163383193) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 4-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-(1-fluoropropan-2-yl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-(1-fluoropropan-2-yl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
PubChem CID163383193
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC Name4-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-(1-fluoropropan-2-yl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESCC(CF)N(Cc1ccc(C#N)cn1)C(=O)c1ccc2nc(N)c3c(c2c1)COC3
InChIInChI=1S/C22H20FN5O2/c1-13(7-23)28(10-16-4-2-14(8-24)9-26-16)22(29)15-3-5-20-17(6-15)18-11-30-12-19(18)21(25)27-20/h2-6,9,13H,7,10-12H2,1H3,(H2,25,27)
InChIKeyMMLMBYQGQJSSGB-UHFFFAOYSA-N
XLogP3.11
TPSA105.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-(1-fluoropropan-2-yl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-(1-fluoropropan-2-yl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-(1-fluoropropan-2-yl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (CID 163383193) is 4-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-(1-fluoropropan-2-yl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-(1-fluoropropan-2-yl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-(1-fluoropropan-2-yl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is CC(CF)N(Cc1ccc(C#N)cn1)C(=O)c1ccc2nc(N)c3c(c2c1)COC3.
What is the InChIKey of 4-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-(1-fluoropropan-2-yl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The InChIKey is MMLMBYQGQJSSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-13(7-23)28(10-16-4-2-14(8-24)9-26-16)22(29)15-3-5-20-17(6-15)18-11-30-12-19(18)21(25)27-20/h2-6,9,13H,7,10-12H2,1H3,(H2,25,27).
What are the key properties of 4-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-(1-fluoropropan-2-yl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
4-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-(1-fluoropropan-2-yl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-(1-fluoropropan-2-yl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 163383193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).