N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide;hydrochloride

C20H27ClN4O2 — CID 19423202

IUPACN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide;hydrochloride
SMILESCCCn1nc(C(=O)NC2CC3CCC(C2)N3C)c(=O)c2ccccc21.Cl
InChIInChI=1S/C20H26N4O2.ClH/c1-3-10-24-17-7-5-4-6-16(17)19(25)18(22-24)20(26)21-13-11-14-8-9-15(12-13)23(14)2;/h4-7,13-15H,3,8-12H2,1-2H3,(H,21,26);1H
InChIKeyOVSNFEXVGHIFDH-UHFFFAOYSA-N
MW390.92 g/mol
LogP2.58
Rot. Bonds4

About N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide;hydrochloride

N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide;hydrochloride (PubChem CID 19423202) has the molecular formula C20H27ClN4O2 and a molecular weight of 390.92 g/mol. Its IUPAC name is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide;hydrochloride
PubChem CID19423202
Molecular FormulaC20H27ClN4O2
Molecular Weight390.92 g/mol
Exact Mass390.18
IUPAC NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide;hydrochloride
SMILESCCCn1nc(C(=O)NC2CC3CCC(C2)N3C)c(=O)c2ccccc21.Cl
InChIInChI=1S/C20H26N4O2.ClH/c1-3-10-24-17-7-5-4-6-16(17)19(25)18(22-24)20(26)21-13-11-14-8-9-15(12-13)23(14)2;/h4-7,13-15H,3,8-12H2,1-2H3,(H,21,26);1H
InChIKeyOVSNFEXVGHIFDH-UHFFFAOYSA-N
XLogP2.58
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.92
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide;hydrochloride?
The IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide;hydrochloride (CID 19423202) is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide;hydrochloride?
The canonical SMILES for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide;hydrochloride is CCCn1nc(C(=O)NC2CC3CCC(C2)N3C)c(=O)c2ccccc21.Cl.
What is the InChIKey of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide;hydrochloride?
The InChIKey is OVSNFEXVGHIFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2.ClH/c1-3-10-24-17-7-5-4-6-16(17)19(25)18(22-24)20(26)21-13-11-14-8-9-15(12-13)23(14)2;/h4-7,13-15H,3,8-12H2,1-2H3,(H,21,26);1H.
What are the key properties of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide;hydrochloride?
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide;hydrochloride has a molecular weight of 390.92 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 19423202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).