N-[1-(2-azabicyclo[3.3.1]nonan-2-yl)propyl]-4-hydroxy-2-oxo-1-propan-2-ylquinoline-3-carboxamide

C24H33N3O3 — CID 70813569

IUPACN-[1-(2-azabicyclo[3.3.1]nonan-2-yl)propyl]-4-hydroxy-2-oxo-1-propan-2-ylquinoline-3-carboxamide
SMILESCCC(NC(=O)c1c(O)c2ccccc2n(C(C)C)c1=O)N1CCC2CCCC1C2
InChIInChI=1S/C24H33N3O3/c1-4-20(26-13-12-16-8-7-9-17(26)14-16)25-23(29)21-22(28)18-10-5-6-11-19(18)27(15(2)3)24(21)30/h5-6,10-11,15-17,20,28H,4,7-9,12-14H2,1-3H3,(H,25,29)
InChIKeyUJFCNFUTFYBBRC-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.02
Rot. Bonds5

About N-[1-(2-azabicyclo[3.3.1]nonan-2-yl)propyl]-4-hydroxy-2-oxo-1-propan-2-ylquinoline-3-carboxamide

N-[1-(2-azabicyclo[3.3.1]nonan-2-yl)propyl]-4-hydroxy-2-oxo-1-propan-2-ylquinoline-3-carboxamide (PubChem CID 70813569) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[1-(2-azabicyclo[3.3.1]nonan-2-yl)propyl]-4-hydroxy-2-oxo-1-propan-2-ylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-azabicyclo[3.3.1]nonan-2-yl)propyl]-4-hydroxy-2-oxo-1-propan-2-ylquinoline-3-carboxamide
PubChem CID70813569
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC NameN-[1-(2-azabicyclo[3.3.1]nonan-2-yl)propyl]-4-hydroxy-2-oxo-1-propan-2-ylquinoline-3-carboxamide
SMILESCCC(NC(=O)c1c(O)c2ccccc2n(C(C)C)c1=O)N1CCC2CCCC1C2
InChIInChI=1S/C24H33N3O3/c1-4-20(26-13-12-16-8-7-9-17(26)14-16)25-23(29)21-22(28)18-10-5-6-11-19(18)27(15(2)3)24(21)30/h5-6,10-11,15-17,20,28H,4,7-9,12-14H2,1-3H3,(H,25,29)
InChIKeyUJFCNFUTFYBBRC-UHFFFAOYSA-N
XLogP4.02
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-azabicyclo[3.3.1]nonan-2-yl)propyl]-4-hydroxy-2-oxo-1-propan-2-ylquinoline-3-carboxamide?
The IUPAC name of N-[1-(2-azabicyclo[3.3.1]nonan-2-yl)propyl]-4-hydroxy-2-oxo-1-propan-2-ylquinoline-3-carboxamide (CID 70813569) is N-[1-(2-azabicyclo[3.3.1]nonan-2-yl)propyl]-4-hydroxy-2-oxo-1-propan-2-ylquinoline-3-carboxamide.
What is the SMILES notation for N-[1-(2-azabicyclo[3.3.1]nonan-2-yl)propyl]-4-hydroxy-2-oxo-1-propan-2-ylquinoline-3-carboxamide?
The canonical SMILES for N-[1-(2-azabicyclo[3.3.1]nonan-2-yl)propyl]-4-hydroxy-2-oxo-1-propan-2-ylquinoline-3-carboxamide is CCC(NC(=O)c1c(O)c2ccccc2n(C(C)C)c1=O)N1CCC2CCCC1C2.
What is the InChIKey of N-[1-(2-azabicyclo[3.3.1]nonan-2-yl)propyl]-4-hydroxy-2-oxo-1-propan-2-ylquinoline-3-carboxamide?
The InChIKey is UJFCNFUTFYBBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-4-20(26-13-12-16-8-7-9-17(26)14-16)25-23(29)21-22(28)18-10-5-6-11-19(18)27(15(2)3)24(21)30/h5-6,10-11,15-17,20,28H,4,7-9,12-14H2,1-3H3,(H,25,29).
What are the key properties of N-[1-(2-azabicyclo[3.3.1]nonan-2-yl)propyl]-4-hydroxy-2-oxo-1-propan-2-ylquinoline-3-carboxamide?
N-[1-(2-azabicyclo[3.3.1]nonan-2-yl)propyl]-4-hydroxy-2-oxo-1-propan-2-ylquinoline-3-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-azabicyclo[3.3.1]nonan-2-yl)propyl]-4-hydroxy-2-oxo-1-propan-2-ylquinoline-3-carboxamide is sourced from PubChem (CID 70813569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).