6-methoxy-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one

C21H23N5O3 — CID 53174733

IUPAC6-methoxy-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(CCC(=O)N3CCN(c4ncccn4)CC3)cc2c1
InChIInChI=1S/C21H23N5O3/c1-29-17-4-5-18-16(14-17)13-15(20(28)24-18)3-6-19(27)25-9-11-26(12-10-25)21-22-7-2-8-23-21/h2,4-5,7-8,13-14H,3,6,9-12H2,1H3,(H,24,28)
InChIKeyYQSXELYFCLVDHJ-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.61
Rot. Bonds5

About 6-methoxy-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one

6-methoxy-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one (PubChem CID 53174733) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 6-methoxy-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methoxy-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one
PubChem CID53174733
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name6-methoxy-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(CCC(=O)N3CCN(c4ncccn4)CC3)cc2c1
InChIInChI=1S/C21H23N5O3/c1-29-17-4-5-18-16(14-17)13-15(20(28)24-18)3-6-19(27)25-9-11-26(12-10-25)21-22-7-2-8-23-21/h2,4-5,7-8,13-14H,3,6,9-12H2,1H3,(H,24,28)
InChIKeyYQSXELYFCLVDHJ-UHFFFAOYSA-N
XLogP1.61
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-methoxy-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one with MolForge

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Related Compounds

3-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-6-methoxy-1H-quinolin-2-one
CID 53174775
3-[4-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazin-1-yl]propanenitrile
CID 53174771
5,7-dimethyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one
CID 110331741
ethyl 4-[3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate
CID 110298870
3-(4-methoxyanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109030451
3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinoxalin-2-one
CID 8853290
N,N-diethyl-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 53174783
6-methoxy-3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 56904800
N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 53174801
6-methoxy-3-[3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
CID 110416263
3-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1H-quinolin-2-one
CID 53174689
7-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
CID 15005637

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one?
The IUPAC name of 6-methoxy-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one (CID 53174733) is 6-methoxy-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methoxy-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one?
The canonical SMILES for 6-methoxy-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one is COc1ccc2[nH]c(=O)c(CCC(=O)N3CCN(c4ncccn4)CC3)cc2c1.
What is the InChIKey of 6-methoxy-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one?
The InChIKey is YQSXELYFCLVDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-29-17-4-5-18-16(14-17)13-15(20(28)24-18)3-6-19(27)25-9-11-26(12-10-25)21-22-7-2-8-23-21/h2,4-5,7-8,13-14H,3,6,9-12H2,1H3,(H,24,28).
What are the key properties of 6-methoxy-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one?
6-methoxy-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one has a molecular weight of 393.45 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one is sourced from PubChem (CID 53174733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).