4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one

C28H29N5O3 — CID 136782564

IUPAC4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one
SMILESCOc1ccc(Cc2nc(C(=O)N3CCN(c4cc(C)c5cccc(C)c5n4)CC3)cc(=O)[nH]2)cc1
InChIInChI=1S/C28H29N5O3/c1-18-5-4-6-22-19(2)15-25(31-27(18)22)32-11-13-33(14-12-32)28(35)23-17-26(34)30-24(29-23)16-20-7-9-21(36-3)10-8-20/h4-10,15,17H,11-14,16H2,1-3H3,(H,29,30,34)
InChIKeyUDAXKWRFYAWKFB-UHFFFAOYSA-N
MW483.57 g/mol
LogP3.50
Rot. Bonds5

About 4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one

4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one (PubChem CID 136782564) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one
PubChem CID136782564
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC Name4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one
SMILESCOc1ccc(Cc2nc(C(=O)N3CCN(c4cc(C)c5cccc(C)c5n4)CC3)cc(=O)[nH]2)cc1
InChIInChI=1S/C28H29N5O3/c1-18-5-4-6-22-19(2)15-25(31-27(18)22)32-11-13-33(14-12-32)28(35)23-17-26(34)30-24(29-23)16-20-7-9-21(36-3)10-8-20/h4-10,15,17H,11-14,16H2,1-3H3,(H,29,30,34)
InChIKeyUDAXKWRFYAWKFB-UHFFFAOYSA-N
XLogP3.50
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 108754711
4-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 136782607
3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 108741817
(3,4-dimethoxyphenyl)-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone
CID 108754706
1'-[2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carbonyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 136782602
[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 108731282
methyl 4-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-4-oxobutanoate
CID 108731300
[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-(3-phenoxyphenyl)methanone
CID 108731152
1-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 108731191
(3,4-dichlorophenyl)-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone
CID 108754708
3-bromo-1-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]propan-1-one
CID 108731281
(4,5-dimethoxy-2-nitrophenyl)-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone
CID 108731183

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one (CID 136782564) is 4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one is COc1ccc(Cc2nc(C(=O)N3CCN(c4cc(C)c5cccc(C)c5n4)CC3)cc(=O)[nH]2)cc1.
What is the InChIKey of 4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one?
The InChIKey is UDAXKWRFYAWKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c1-18-5-4-6-22-19(2)15-25(31-27(18)22)32-11-13-33(14-12-32)28(35)23-17-26(34)30-24(29-23)16-20-7-9-21(36-3)10-8-20/h4-10,15,17H,11-14,16H2,1-3H3,(H,29,30,34).
What are the key properties of 4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one?
4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one has a molecular weight of 483.57 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136782564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).