N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2-pyrrolidin-1-ylacetamide

C23H25N5O5 — CID 11612145

IUPACN-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2-pyrrolidin-1-ylacetamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)NC(=O)CN4CCCC4)nc3)c2cc1OC
InChIInChI=1S/C23H25N5O5/c1-31-19-11-16-17(12-20(19)32-2)24-8-7-18(16)33-15-5-6-21(25-13-15)26-23(30)27-22(29)14-28-9-3-4-10-28/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H2,25,26,27,29,30)
InChIKeyKEGXOZFSDUZGCJ-UHFFFAOYSA-N
MW451.48 g/mol
LogP3.18
Rot. Bonds7

About N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2-pyrrolidin-1-ylacetamide

N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 11612145) has the molecular formula C23H25N5O5 and a molecular weight of 451.48 g/mol. Its IUPAC name is N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2-pyrrolidin-1-ylacetamide
PubChem CID11612145
Molecular FormulaC23H25N5O5
Molecular Weight451.48 g/mol
Exact Mass451.19
IUPAC NameN-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2-pyrrolidin-1-ylacetamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)NC(=O)CN4CCCC4)nc3)c2cc1OC
InChIInChI=1S/C23H25N5O5/c1-31-19-11-16-17(12-20(19)32-2)24-8-7-18(16)33-15-5-6-21(25-13-15)26-23(30)27-22(29)14-28-9-3-4-10-28/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H2,25,26,27,29,30)
InChIKeyKEGXOZFSDUZGCJ-UHFFFAOYSA-N
XLogP3.18
TPSA114.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2-pyrrolidin-1-ylacetamide (CID 11612145) is N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2-pyrrolidin-1-ylacetamide is COc1cc2nccc(Oc3ccc(NC(=O)NC(=O)CN4CCCC4)nc3)c2cc1OC.
What is the InChIKey of N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is KEGXOZFSDUZGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O5/c1-31-19-11-16-17(12-20(19)32-2)24-8-7-18(16)33-15-5-6-21(25-13-15)26-23(30)27-22(29)14-28-9-3-4-10-28/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H2,25,26,27,29,30).
What are the key properties of N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2-pyrrolidin-1-ylacetamide?
N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 451.48 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 11612145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).