[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(6-methyl-2-pyridin-3-ylquinolin-4-yl)methanone

C28H28N4O2 — CID 1261440

IUPAC[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(6-methyl-2-pyridin-3-ylquinolin-4-yl)methanone
SMILESCOc1cccc(CN2CCN(C(=O)c3cc(-c4cccnc4)nc4ccc(C)cc34)CC2)c1
InChIInChI=1S/C28H28N4O2/c1-20-8-9-26-24(15-20)25(17-27(30-26)22-6-4-10-29-18-22)28(33)32-13-11-31(12-14-32)19-21-5-3-7-23(16-21)34-2/h3-10,15-18H,11-14,19H2,1-2H3
InChIKeyTUYQFPBZWNVMKW-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.57
Rot. Bonds5

About [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(6-methyl-2-pyridin-3-ylquinolin-4-yl)methanone

[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(6-methyl-2-pyridin-3-ylquinolin-4-yl)methanone (PubChem CID 1261440) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(6-methyl-2-pyridin-3-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(6-methyl-2-pyridin-3-ylquinolin-4-yl)methanone
PubChem CID1261440
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC Name[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(6-methyl-2-pyridin-3-ylquinolin-4-yl)methanone
SMILESCOc1cccc(CN2CCN(C(=O)c3cc(-c4cccnc4)nc4ccc(C)cc34)CC2)c1
InChIInChI=1S/C28H28N4O2/c1-20-8-9-26-24(15-20)25(17-27(30-26)22-6-4-10-29-18-22)28(33)32-13-11-31(12-14-32)19-21-5-3-7-23(16-21)34-2/h3-10,15-18H,11-14,19H2,1-2H3
InChIKeyTUYQFPBZWNVMKW-UHFFFAOYSA-N
XLogP4.57
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(6-methyl-2-pyridin-3-ylquinolin-4-yl)methanone with MolForge

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Related Compounds

[2-(3-methoxyphenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone
CID 42750037
2-(2,3-dimethylphenoxy)-1-[4-(6-methyl-2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
CID 166179184
(4-benzylpiperazin-1-yl)-[6-bromo-2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 5226155
[2-(3-methoxyphenyl)-6-methylquinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4244399
1-[(3-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine;oxalic acid
CID 17367073
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone
CID 17375510
[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone
CID 74243553
[2-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 19323262
furan-2-yl-[4-(6-methoxy-2-phenylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 154772613
[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 134001201
[2-(4-methoxyphenyl)-6-methylquinolin-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 3369416
(4-benzylpiperazin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 44821362

Frequently Asked Questions

What is the IUPAC name of [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(6-methyl-2-pyridin-3-ylquinolin-4-yl)methanone?
The IUPAC name of [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(6-methyl-2-pyridin-3-ylquinolin-4-yl)methanone (CID 1261440) is [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(6-methyl-2-pyridin-3-ylquinolin-4-yl)methanone.
What is the SMILES notation for [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(6-methyl-2-pyridin-3-ylquinolin-4-yl)methanone?
The canonical SMILES for [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(6-methyl-2-pyridin-3-ylquinolin-4-yl)methanone is COc1cccc(CN2CCN(C(=O)c3cc(-c4cccnc4)nc4ccc(C)cc34)CC2)c1.
What is the InChIKey of [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(6-methyl-2-pyridin-3-ylquinolin-4-yl)methanone?
The InChIKey is TUYQFPBZWNVMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-20-8-9-26-24(15-20)25(17-27(30-26)22-6-4-10-29-18-22)28(33)32-13-11-31(12-14-32)19-21-5-3-7-23(16-21)34-2/h3-10,15-18H,11-14,19H2,1-2H3.
What are the key properties of [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(6-methyl-2-pyridin-3-ylquinolin-4-yl)methanone?
[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(6-methyl-2-pyridin-3-ylquinolin-4-yl)methanone has a molecular weight of 452.56 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(6-methyl-2-pyridin-3-ylquinolin-4-yl)methanone is sourced from PubChem (CID 1261440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).