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

C27H26N4O2 — CID 17375510

IUPAC[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3cc(-c4ccncc4)nc4ccc(C)cc34)CC2)cc1
InChIInChI=1S/C27H26N4O2/c1-19-3-8-25-23(17-19)24(18-26(29-25)20-9-11-28-12-10-20)27(32)31-15-13-30(14-16-31)21-4-6-22(33-2)7-5-21/h3-12,17-18H,13-16H2,1-2H3
InChIKeyNRPUQFRYTSCTKZ-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.58
Rot. Bonds4

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

[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone (PubChem CID 17375510) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone
PubChem CID17375510
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3cc(-c4ccncc4)nc4ccc(C)cc34)CC2)cc1
InChIInChI=1S/C27H26N4O2/c1-19-3-8-25-23(17-19)24(18-26(29-25)20-9-11-28-12-10-20)27(32)31-15-13-30(14-16-31)21-4-6-22(33-2)7-5-21/h3-12,17-18H,13-16H2,1-2H3
InChIKeyNRPUQFRYTSCTKZ-UHFFFAOYSA-N
XLogP4.58
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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

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Launch Full Analysis

Related Compounds

(6-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 1261235
[2-(4-methoxyphenyl)-6-methylquinolin-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 3369416
1-[4-[4-(6-bromo-2-pyridin-4-ylquinoline-4-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 2965502
(6-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone
CID 17375214
[6-methyl-2-(4-propan-2-ylphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 4283982
[2-(4-butoxyphenyl)quinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 5093684
[2-(3-methoxyphenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone
CID 42750037
6-methyl-2-(4-pyrrolidin-1-ylphenyl)quinoline-4-carboxylic acid
CID 168514407
(2-methoxy-5-methylphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51211149
[2-(3-methoxyphenyl)-6-methylquinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4244399
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
(2,6-dimethylmorpholin-4-yl)-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone
CID 4302075

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone?
The IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone (CID 17375510) is [4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone?
The canonical SMILES for [4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone is COc1ccc(N2CCN(C(=O)c3cc(-c4ccncc4)nc4ccc(C)cc34)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone?
The InChIKey is NRPUQFRYTSCTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-19-3-8-25-23(17-19)24(18-26(29-25)20-9-11-28-12-10-20)27(32)31-15-13-30(14-16-31)21-4-6-22(33-2)7-5-21/h3-12,17-18H,13-16H2,1-2H3.
What are the key properties of [4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone?
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone has a molecular weight of 438.53 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone is sourced from PubChem (CID 17375510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).