5,8-dimethoxy-1-methyl-4-oxo-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-3-carboxamide

C25H29N3O5 — CID 121240899

IUPAC5,8-dimethoxy-1-methyl-4-oxo-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-3-carboxamide
SMILESCOc1ccc(OC)c2c1c(=O)c(C(=O)Nc1ccc(OCCN3CCCC3)cc1)cn2C
InChIInChI=1S/C25H29N3O5/c1-27-16-19(24(29)22-20(31-2)10-11-21(32-3)23(22)27)25(30)26-17-6-8-18(9-7-17)33-15-14-28-12-4-5-13-28/h6-11,16H,4-5,12-15H2,1-3H3,(H,26,30)
InChIKeyOVQJWOGACUZKQN-UHFFFAOYSA-N
MW451.52 g/mol
LogP3.28
Rot. Bonds8

About 5,8-dimethoxy-1-methyl-4-oxo-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-3-carboxamide

5,8-dimethoxy-1-methyl-4-oxo-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-3-carboxamide (PubChem CID 121240899) has the molecular formula C25H29N3O5 and a molecular weight of 451.52 g/mol. Its IUPAC name is 5,8-dimethoxy-1-methyl-4-oxo-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name5,8-dimethoxy-1-methyl-4-oxo-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-3-carboxamide
PubChem CID121240899
Molecular FormulaC25H29N3O5
Molecular Weight451.52 g/mol
Exact Mass451.21
IUPAC Name5,8-dimethoxy-1-methyl-4-oxo-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-3-carboxamide
SMILESCOc1ccc(OC)c2c1c(=O)c(C(=O)Nc1ccc(OCCN3CCCC3)cc1)cn2C
InChIInChI=1S/C25H29N3O5/c1-27-16-19(24(29)22-20(31-2)10-11-21(32-3)23(22)27)25(30)26-17-6-8-18(9-7-17)33-15-14-28-12-4-5-13-28/h6-11,16H,4-5,12-15H2,1-3H3,(H,26,30)
InChIKeyOVQJWOGACUZKQN-UHFFFAOYSA-N
XLogP3.28
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-1-methyl-4-oxo-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-3-carboxamide?
The IUPAC name of 5,8-dimethoxy-1-methyl-4-oxo-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-3-carboxamide (CID 121240899) is 5,8-dimethoxy-1-methyl-4-oxo-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-3-carboxamide.
What is the SMILES notation for 5,8-dimethoxy-1-methyl-4-oxo-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-3-carboxamide?
The canonical SMILES for 5,8-dimethoxy-1-methyl-4-oxo-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-3-carboxamide is COc1ccc(OC)c2c1c(=O)c(C(=O)Nc1ccc(OCCN3CCCC3)cc1)cn2C.
What is the InChIKey of 5,8-dimethoxy-1-methyl-4-oxo-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-3-carboxamide?
The InChIKey is OVQJWOGACUZKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5/c1-27-16-19(24(29)22-20(31-2)10-11-21(32-3)23(22)27)25(30)26-17-6-8-18(9-7-17)33-15-14-28-12-4-5-13-28/h6-11,16H,4-5,12-15H2,1-3H3,(H,26,30).
What are the key properties of 5,8-dimethoxy-1-methyl-4-oxo-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-3-carboxamide?
5,8-dimethoxy-1-methyl-4-oxo-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-3-carboxamide has a molecular weight of 451.52 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-1-methyl-4-oxo-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 121240899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).