3-hydroxy-1-methyl-2-oxo-N-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]quinoline-4-carboxamide

C24H27N3O3 — CID 90355841

IUPAC3-hydroxy-1-methyl-2-oxo-N-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]quinoline-4-carboxamide
SMILESCC(NC(=O)c1c(O)c(=O)n(C)c2ccccc12)c1cccc(CN2CCCC2)c1
InChIInChI=1S/C24H27N3O3/c1-16(18-9-7-8-17(14-18)15-27-12-5-6-13-27)25-23(29)21-19-10-3-4-11-20(19)26(2)24(30)22(21)28/h3-4,7-11,14,16,28H,5-6,12-13,15H2,1-2H3,(H,25,29)
InChIKeyHQHYKAQBPWTVAK-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.33
Rot. Bonds5

About 3-hydroxy-1-methyl-2-oxo-N-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]quinoline-4-carboxamide

3-hydroxy-1-methyl-2-oxo-N-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]quinoline-4-carboxamide (PubChem CID 90355841) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-2-oxo-N-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-1-methyl-2-oxo-N-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]quinoline-4-carboxamide
PubChem CID90355841
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name3-hydroxy-1-methyl-2-oxo-N-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]quinoline-4-carboxamide
SMILESCC(NC(=O)c1c(O)c(=O)n(C)c2ccccc12)c1cccc(CN2CCCC2)c1
InChIInChI=1S/C24H27N3O3/c1-16(18-9-7-8-17(14-18)15-27-12-5-6-13-27)25-23(29)21-19-10-3-4-11-20(19)26(2)24(30)22(21)28/h3-4,7-11,14,16,28H,5-6,12-13,15H2,1-2H3,(H,25,29)
InChIKeyHQHYKAQBPWTVAK-UHFFFAOYSA-N
XLogP3.33
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-2-oxo-N-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]quinoline-4-carboxamide?
The IUPAC name of 3-hydroxy-1-methyl-2-oxo-N-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]quinoline-4-carboxamide (CID 90355841) is 3-hydroxy-1-methyl-2-oxo-N-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 3-hydroxy-1-methyl-2-oxo-N-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]quinoline-4-carboxamide?
The canonical SMILES for 3-hydroxy-1-methyl-2-oxo-N-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]quinoline-4-carboxamide is CC(NC(=O)c1c(O)c(=O)n(C)c2ccccc12)c1cccc(CN2CCCC2)c1.
What is the InChIKey of 3-hydroxy-1-methyl-2-oxo-N-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]quinoline-4-carboxamide?
The InChIKey is HQHYKAQBPWTVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-16(18-9-7-8-17(14-18)15-27-12-5-6-13-27)25-23(29)21-19-10-3-4-11-20(19)26(2)24(30)22(21)28/h3-4,7-11,14,16,28H,5-6,12-13,15H2,1-2H3,(H,25,29).
What are the key properties of 3-hydroxy-1-methyl-2-oxo-N-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]quinoline-4-carboxamide?
3-hydroxy-1-methyl-2-oxo-N-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]quinoline-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-2-oxo-N-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 90355841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).