3-[4-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazin-1-yl]propanenitrile

C20H24N4O3 — CID 53174771

IUPAC3-[4-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazin-1-yl]propanenitrile
SMILESCOc1ccc2[nH]c(=O)c(CCC(=O)N3CCN(CCC#N)CC3)cc2c1
InChIInChI=1S/C20H24N4O3/c1-27-17-4-5-18-16(14-17)13-15(20(26)22-18)3-6-19(25)24-11-9-23(10-12-24)8-2-7-21/h4-5,13-14H,2-3,6,8-12H2,1H3,(H,22,26)
InChIKeyLMFNANWJJWKBOB-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.53
Rot. Bonds6

About 3-[4-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazin-1-yl]propanenitrile

3-[4-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazin-1-yl]propanenitrile (PubChem CID 53174771) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-[4-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazin-1-yl]propanenitrile
PubChem CID53174771
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name3-[4-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazin-1-yl]propanenitrile
SMILESCOc1ccc2[nH]c(=O)c(CCC(=O)N3CCN(CCC#N)CC3)cc2c1
InChIInChI=1S/C20H24N4O3/c1-27-17-4-5-18-16(14-17)13-15(20(26)22-18)3-6-19(25)24-11-9-23(10-12-24)8-2-7-21/h4-5,13-14H,2-3,6,8-12H2,1H3,(H,22,26)
InChIKeyLMFNANWJJWKBOB-UHFFFAOYSA-N
XLogP1.53
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazin-1-yl]propanenitrile with MolForge

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Related Compounds

3-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-6-methoxy-1H-quinolin-2-one
CID 53174775
6-methoxy-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one
CID 53174733
N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 53174801
ethyl 4-[3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate
CID 110298870
3-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1H-quinolin-2-one
CID 53174689
7-methyl-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]-1H-quinolin-2-one
CID 53174829
N,N-diethyl-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 53174783
4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde
CID 110331208
3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one
CID 865120
6-methoxy-3-[3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
CID 110416263
N-(3,4-dimethoxyphenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide
CID 110426059
N-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 95103360

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazin-1-yl]propanenitrile?
The IUPAC name of 3-[4-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazin-1-yl]propanenitrile (CID 53174771) is 3-[4-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazin-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazin-1-yl]propanenitrile?
The canonical SMILES for 3-[4-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazin-1-yl]propanenitrile is COc1ccc2[nH]c(=O)c(CCC(=O)N3CCN(CCC#N)CC3)cc2c1.
What is the InChIKey of 3-[4-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazin-1-yl]propanenitrile?
The InChIKey is LMFNANWJJWKBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-27-17-4-5-18-16(14-17)13-15(20(26)22-18)3-6-19(25)24-11-9-23(10-12-24)8-2-7-21/h4-5,13-14H,2-3,6,8-12H2,1H3,(H,22,26).
What are the key properties of 3-[4-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazin-1-yl]propanenitrile?
3-[4-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazin-1-yl]propanenitrile has a molecular weight of 368.44 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazin-1-yl]propanenitrile is sourced from PubChem (CID 53174771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).