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

C23H30ClN3O3 — CID 18919656

IUPAC2-oxo-N-[8-(2-oxopropyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylquinoline-3-carboxamide;hydrochloride
SMILESCC(=O)CN1C2CCC1CC(NC(=O)c1cc3ccccc3n(C(C)C)c1=O)C2.Cl
InChIInChI=1S/C23H29N3O3.ClH/c1-14(2)26-21-7-5-4-6-16(21)10-20(23(26)29)22(28)24-17-11-18-8-9-19(12-17)25(18)13-15(3)27;/h4-7,10,14,17-19H,8-9,11-13H2,1-3H3,(H,24,28);1H
InChIKeyULEFJWAPQLDCNA-UHFFFAOYSA-N
MW431.96 g/mol
LogP3.32
Rot. Bonds5

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

2-oxo-N-[8-(2-oxopropyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylquinoline-3-carboxamide;hydrochloride (PubChem CID 18919656) has the molecular formula C23H30ClN3O3 and a molecular weight of 431.96 g/mol. Its IUPAC name is 2-oxo-N-[8-(2-oxopropyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylquinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-oxo-N-[8-(2-oxopropyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylquinoline-3-carboxamide;hydrochloride
PubChem CID18919656
Molecular FormulaC23H30ClN3O3
Molecular Weight431.96 g/mol
Exact Mass431.20
IUPAC Name2-oxo-N-[8-(2-oxopropyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylquinoline-3-carboxamide;hydrochloride
SMILESCC(=O)CN1C2CCC1CC(NC(=O)c1cc3ccccc3n(C(C)C)c1=O)C2.Cl
InChIInChI=1S/C23H29N3O3.ClH/c1-14(2)26-21-7-5-4-6-16(21)10-20(23(26)29)22(28)24-17-11-18-8-9-19(12-17)25(18)13-15(3)27;/h4-7,10,14,17-19H,8-9,11-13H2,1-3H3,(H,24,28);1H
InChIKeyULEFJWAPQLDCNA-UHFFFAOYSA-N
XLogP3.32
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.96
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[8-(2-oxopropyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylquinoline-3-carboxamide;hydrochloride?
The IUPAC name of 2-oxo-N-[8-(2-oxopropyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylquinoline-3-carboxamide;hydrochloride (CID 18919656) is 2-oxo-N-[8-(2-oxopropyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylquinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-oxo-N-[8-(2-oxopropyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylquinoline-3-carboxamide;hydrochloride?
The canonical SMILES for 2-oxo-N-[8-(2-oxopropyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylquinoline-3-carboxamide;hydrochloride is CC(=O)CN1C2CCC1CC(NC(=O)c1cc3ccccc3n(C(C)C)c1=O)C2.Cl.
What is the InChIKey of 2-oxo-N-[8-(2-oxopropyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylquinoline-3-carboxamide;hydrochloride?
The InChIKey is ULEFJWAPQLDCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3.ClH/c1-14(2)26-21-7-5-4-6-16(21)10-20(23(26)29)22(28)24-17-11-18-8-9-19(12-17)25(18)13-15(3)27;/h4-7,10,14,17-19H,8-9,11-13H2,1-3H3,(H,24,28);1H.
What are the key properties of 2-oxo-N-[8-(2-oxopropyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylquinoline-3-carboxamide;hydrochloride?
2-oxo-N-[8-(2-oxopropyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylquinoline-3-carboxamide;hydrochloride has a molecular weight of 431.96 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[8-(2-oxopropyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylquinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 18919656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).