4-amino-N-[(6-chloropyridazin-3-yl)methyl]-N-(1-pyrimidin-2-ylethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

C23H20ClN7O2 — CID 175487766

IUPAC4-amino-N-[(6-chloropyridazin-3-yl)methyl]-N-(1-pyrimidin-2-ylethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESCC(c1ncccn1)N(Cc1ccc(Cl)nn1)C(=O)c1ccc2nc(N)c3c(c2c1)COC3
InChIInChI=1S/C23H20ClN7O2/c1-13(22-26-7-2-8-27-22)31(10-15-4-6-20(24)30-29-15)23(32)14-3-5-19-16(9-14)17-11-33-12-18(17)21(25)28-19/h2-9,13H,10-12H2,1H3,(H2,25,28)
InChIKeyJKPCNBZKRDXZPW-UHFFFAOYSA-N
MW461.91 g/mol
LogP3.48
Rot. Bonds5

About 4-amino-N-[(6-chloropyridazin-3-yl)methyl]-N-(1-pyrimidin-2-ylethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

4-amino-N-[(6-chloropyridazin-3-yl)methyl]-N-(1-pyrimidin-2-ylethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (PubChem CID 175487766) has the molecular formula C23H20ClN7O2 and a molecular weight of 461.91 g/mol. Its IUPAC name is 4-amino-N-[(6-chloropyridazin-3-yl)methyl]-N-(1-pyrimidin-2-ylethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(6-chloropyridazin-3-yl)methyl]-N-(1-pyrimidin-2-ylethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
PubChem CID175487766
Molecular FormulaC23H20ClN7O2
Molecular Weight461.91 g/mol
Exact Mass461.14
IUPAC Name4-amino-N-[(6-chloropyridazin-3-yl)methyl]-N-(1-pyrimidin-2-ylethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESCC(c1ncccn1)N(Cc1ccc(Cl)nn1)C(=O)c1ccc2nc(N)c3c(c2c1)COC3
InChIInChI=1S/C23H20ClN7O2/c1-13(22-26-7-2-8-27-22)31(10-15-4-6-20(24)30-29-15)23(32)14-3-5-19-16(9-14)17-11-33-12-18(17)21(25)28-19/h2-9,13H,10-12H2,1H3,(H2,25,28)
InChIKeyJKPCNBZKRDXZPW-UHFFFAOYSA-N
XLogP3.48
TPSA120.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.91
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(6-chloropyridazin-3-yl)methyl]-N-(1-pyrimidin-2-ylethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-N-[(6-chloropyridazin-3-yl)methyl]-N-(1-pyrimidin-2-ylethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (CID 175487766) is 4-amino-N-[(6-chloropyridazin-3-yl)methyl]-N-(1-pyrimidin-2-ylethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-N-[(6-chloropyridazin-3-yl)methyl]-N-(1-pyrimidin-2-ylethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-N-[(6-chloropyridazin-3-yl)methyl]-N-(1-pyrimidin-2-ylethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is CC(c1ncccn1)N(Cc1ccc(Cl)nn1)C(=O)c1ccc2nc(N)c3c(c2c1)COC3.
What is the InChIKey of 4-amino-N-[(6-chloropyridazin-3-yl)methyl]-N-(1-pyrimidin-2-ylethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The InChIKey is JKPCNBZKRDXZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN7O2/c1-13(22-26-7-2-8-27-22)31(10-15-4-6-20(24)30-29-15)23(32)14-3-5-19-16(9-14)17-11-33-12-18(17)21(25)28-19/h2-9,13H,10-12H2,1H3,(H2,25,28).
What are the key properties of 4-amino-N-[(6-chloropyridazin-3-yl)methyl]-N-(1-pyrimidin-2-ylethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
4-amino-N-[(6-chloropyridazin-3-yl)methyl]-N-(1-pyrimidin-2-ylethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide has a molecular weight of 461.91 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(6-chloropyridazin-3-yl)methyl]-N-(1-pyrimidin-2-ylethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 175487766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).