4-amino-N-[(3R)-6-methoxy-2,3-dihydrofuro[2,3-b]pyridin-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

C21H20N4O4 — CID 164867366

IUPAC4-amino-N-[(3R)-6-methoxy-2,3-dihydrofuro[2,3-b]pyridin-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESCOc1ccc2c(n1)OC[C@@H]2N(C)C(=O)c1ccc2nc(N)c3c(c2c1)COC3
InChIInChI=1S/C21H20N4O4/c1-25(17-10-29-20-12(17)4-6-18(24-20)27-2)21(26)11-3-5-16-13(7-11)14-8-28-9-15(14)19(22)23-16/h3-7,17H,8-10H2,1-2H3,(H2,22,23)/t17-/m0/s1
InChIKeyBAPULTHCJHBYBD-KRWDZBQOSA-N
MW392.42 g/mol
LogP2.46
Rot. Bonds3

About 4-amino-N-[(3R)-6-methoxy-2,3-dihydrofuro[2,3-b]pyridin-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

4-amino-N-[(3R)-6-methoxy-2,3-dihydrofuro[2,3-b]pyridin-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (PubChem CID 164867366) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 4-amino-N-[(3R)-6-methoxy-2,3-dihydrofuro[2,3-b]pyridin-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3R)-6-methoxy-2,3-dihydrofuro[2,3-b]pyridin-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
PubChem CID164867366
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name4-amino-N-[(3R)-6-methoxy-2,3-dihydrofuro[2,3-b]pyridin-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESCOc1ccc2c(n1)OC[C@@H]2N(C)C(=O)c1ccc2nc(N)c3c(c2c1)COC3
InChIInChI=1S/C21H20N4O4/c1-25(17-10-29-20-12(17)4-6-18(24-20)27-2)21(26)11-3-5-16-13(7-11)14-8-28-9-15(14)19(22)23-16/h3-7,17H,8-10H2,1-2H3,(H2,22,23)/t17-/m0/s1
InChIKeyBAPULTHCJHBYBD-KRWDZBQOSA-N
XLogP2.46
TPSA99.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-amino-N-[(3R)-6-methoxy-2,3-dihydrofuro[2,3-b]pyridin-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3R)-6-methoxy-2,3-dihydrofuro[2,3-b]pyridin-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-N-[(3R)-6-methoxy-2,3-dihydrofuro[2,3-b]pyridin-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (CID 164867366) is 4-amino-N-[(3R)-6-methoxy-2,3-dihydrofuro[2,3-b]pyridin-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-N-[(3R)-6-methoxy-2,3-dihydrofuro[2,3-b]pyridin-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-N-[(3R)-6-methoxy-2,3-dihydrofuro[2,3-b]pyridin-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is COc1ccc2c(n1)OC[C@@H]2N(C)C(=O)c1ccc2nc(N)c3c(c2c1)COC3.
What is the InChIKey of 4-amino-N-[(3R)-6-methoxy-2,3-dihydrofuro[2,3-b]pyridin-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The InChIKey is BAPULTHCJHBYBD-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-25(17-10-29-20-12(17)4-6-18(24-20)27-2)21(26)11-3-5-16-13(7-11)14-8-28-9-15(14)19(22)23-16/h3-7,17H,8-10H2,1-2H3,(H2,22,23)/t17-/m0/s1.
What are the key properties of 4-amino-N-[(3R)-6-methoxy-2,3-dihydrofuro[2,3-b]pyridin-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
4-amino-N-[(3R)-6-methoxy-2,3-dihydrofuro[2,3-b]pyridin-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3R)-6-methoxy-2,3-dihydrofuro[2,3-b]pyridin-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 164867366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).