N-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-propan-2-ylquinoline-3-carboxamide

C22H27N3O3 — CID 18919655

IUPACN-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-propan-2-ylquinoline-3-carboxamide
SMILESCC(=O)N1C2CCC1CC(NC(=O)c1cc3ccccc3n(C(C)C)c1=O)C2
InChIInChI=1S/C22H27N3O3/c1-13(2)24-20-7-5-4-6-15(20)10-19(22(24)28)21(27)23-16-11-17-8-9-18(12-16)25(17)14(3)26/h4-7,10,13,16-18H,8-9,11-12H2,1-3H3,(H,23,27)
InChIKeyFQQIZOWBQBGNQC-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.85
Rot. Bonds3

About N-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-propan-2-ylquinoline-3-carboxamide

N-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-propan-2-ylquinoline-3-carboxamide (PubChem CID 18919655) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-propan-2-ylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-propan-2-ylquinoline-3-carboxamide
PubChem CID18919655
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-propan-2-ylquinoline-3-carboxamide
SMILESCC(=O)N1C2CCC1CC(NC(=O)c1cc3ccccc3n(C(C)C)c1=O)C2
InChIInChI=1S/C22H27N3O3/c1-13(2)24-20-7-5-4-6-15(20)10-19(22(24)28)21(27)23-16-11-17-8-9-18(12-16)25(17)14(3)26/h4-7,10,13,16-18H,8-9,11-12H2,1-3H3,(H,23,27)
InChIKeyFQQIZOWBQBGNQC-UHFFFAOYSA-N
XLogP2.85
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-propan-2-ylquinoline-3-carboxamide?
The IUPAC name of N-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-propan-2-ylquinoline-3-carboxamide (CID 18919655) is N-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-propan-2-ylquinoline-3-carboxamide.
What is the SMILES notation for N-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-propan-2-ylquinoline-3-carboxamide?
The canonical SMILES for N-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-propan-2-ylquinoline-3-carboxamide is CC(=O)N1C2CCC1CC(NC(=O)c1cc3ccccc3n(C(C)C)c1=O)C2.
What is the InChIKey of N-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-propan-2-ylquinoline-3-carboxamide?
The InChIKey is FQQIZOWBQBGNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-13(2)24-20-7-5-4-6-15(20)10-19(22(24)28)21(27)23-16-11-17-8-9-18(12-16)25(17)14(3)26/h4-7,10,13,16-18H,8-9,11-12H2,1-3H3,(H,23,27).
What are the key properties of N-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-propan-2-ylquinoline-3-carboxamide?
N-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-propan-2-ylquinoline-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-propan-2-ylquinoline-3-carboxamide is sourced from PubChem (CID 18919655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).