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

C20H25ClN4O2 — CID 19423201

IUPAC8-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide
SMILESCCCn1nc(C(=O)NC2CC3CCC(C2)N3C)c(=O)c2cccc(Cl)c21
InChIInChI=1S/C20H25ClN4O2/c1-3-9-25-18-15(5-4-6-16(18)21)19(26)17(23-25)20(27)22-12-10-13-7-8-14(11-12)24(13)2/h4-6,12-14H,3,7-11H2,1-2H3,(H,22,27)
InChIKeyHZSYGFXTKLEDBO-UHFFFAOYSA-N
MW388.90 g/mol
LogP2.81
Rot. Bonds4

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

8-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide (PubChem CID 19423201) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is 8-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide.

Molecular Properties

Compound Name8-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide
PubChem CID19423201
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC Name8-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide
SMILESCCCn1nc(C(=O)NC2CC3CCC(C2)N3C)c(=O)c2cccc(Cl)c21
InChIInChI=1S/C20H25ClN4O2/c1-3-9-25-18-15(5-4-6-16(18)21)19(26)17(23-25)20(27)22-12-10-13-7-8-14(11-12)24(13)2/h4-6,12-14H,3,7-11H2,1-2H3,(H,22,27)
InChIKeyHZSYGFXTKLEDBO-UHFFFAOYSA-N
XLogP2.81
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide;hydrochloride
CID 19423202
1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxocinnoline-3-carboxamide
CID 15232962
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 46539232
7-hydroxy-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuterio(113C)methyl)indazole-3-carboxamide
CID 76973834
N-(1,1-dioxothiolan-3-yl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 17409229
1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride
CID 6918003
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 5-fluoro-4-oxo-1-propylcinnoline-3-carboxylate
CID 15232969
N-(9-azatricyclo[3.3.1.03,9]nonan-7-yl)-7-hydroxy-1-methylindazole-3-carboxamide;hydrochloride
CID 131699046
4-chloro-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide
CID 70107982
1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;sulfuric acid
CID 46912690
methanesulfonic acid;1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
CID 71728255
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
CID 126477922

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide?
The IUPAC name of 8-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide (CID 19423201) is 8-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide.
What is the SMILES notation for 8-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide?
The canonical SMILES for 8-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide is CCCn1nc(C(=O)NC2CC3CCC(C2)N3C)c(=O)c2cccc(Cl)c21.
What is the InChIKey of 8-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide?
The InChIKey is HZSYGFXTKLEDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2/c1-3-9-25-18-15(5-4-6-16(18)21)19(26)17(23-25)20(27)22-12-10-13-7-8-14(11-12)24(13)2/h4-6,12-14H,3,7-11H2,1-2H3,(H,22,27).
What are the key properties of 8-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide?
8-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide has a molecular weight of 388.90 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide is sourced from PubChem (CID 19423201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).