[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(3-methoxyquinolin-4-yl)methanone

C21H22N4O3 — CID 136558459

IUPAC[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(3-methoxyquinolin-4-yl)methanone
SMILESCOc1cncc(N2CCN(C(=O)c3c(OC)cnc4ccccc34)CC2)c1
InChIInChI=1S/C21H22N4O3/c1-27-16-11-15(12-22-13-16)24-7-9-25(10-8-24)21(26)20-17-5-3-4-6-18(17)23-14-19(20)28-2/h3-6,11-14H,7-10H2,1-2H3
InChIKeyWJLPUGMLNPRRMM-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.61
Rot. Bonds4

About [4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(3-methoxyquinolin-4-yl)methanone

[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(3-methoxyquinolin-4-yl)methanone (PubChem CID 136558459) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is [4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(3-methoxyquinolin-4-yl)methanone.

Molecular Properties

Compound Name[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(3-methoxyquinolin-4-yl)methanone
PubChem CID136558459
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(3-methoxyquinolin-4-yl)methanone
SMILESCOc1cncc(N2CCN(C(=O)c3c(OC)cnc4ccccc34)CC2)c1
InChIInChI=1S/C21H22N4O3/c1-27-16-11-15(12-22-13-16)24-7-9-25(10-8-24)21(26)20-17-5-3-4-6-18(17)23-14-19(20)28-2/h3-6,11-14H,7-10H2,1-2H3
InChIKeyWJLPUGMLNPRRMM-UHFFFAOYSA-N
XLogP2.61
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(3-methoxyquinolin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-methoxyquinolin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 110849120
(4-ethoxyphenyl)-[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]methanone
CID 136558450
[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 126826218
(2-hydroxyacridin-9-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 11429878
[4-(3-methoxyphenyl)piperazin-1-yl]-(3-phenylcinnolin-4-yl)methanone
CID 46288051
[4-(4-methoxyphenyl)piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 18192931
(2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113077374
[3-[4-(acridine-9-carbonyl)piperazin-1-yl]phenyl] hydrogen carbonate
CID 11304893
(2-methoxyphenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 32880632
(3,6-dichloro-2-methoxyphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741343
[2-(4-ethylphenyl)-3-methylquinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 1261265
N,N-diethyl-3-methoxyquinoline-4-carboxamide
CID 110855209

Frequently Asked Questions

What is the IUPAC name of [4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(3-methoxyquinolin-4-yl)methanone?
The IUPAC name of [4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(3-methoxyquinolin-4-yl)methanone (CID 136558459) is [4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(3-methoxyquinolin-4-yl)methanone.
What is the SMILES notation for [4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(3-methoxyquinolin-4-yl)methanone?
The canonical SMILES for [4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(3-methoxyquinolin-4-yl)methanone is COc1cncc(N2CCN(C(=O)c3c(OC)cnc4ccccc34)CC2)c1.
What is the InChIKey of [4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(3-methoxyquinolin-4-yl)methanone?
The InChIKey is WJLPUGMLNPRRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-16-11-15(12-22-13-16)24-7-9-25(10-8-24)21(26)20-17-5-3-4-6-18(17)23-14-19(20)28-2/h3-6,11-14H,7-10H2,1-2H3.
What are the key properties of [4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(3-methoxyquinolin-4-yl)methanone?
[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(3-methoxyquinolin-4-yl)methanone has a molecular weight of 378.43 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(3-methoxyquinolin-4-yl)methanone is sourced from PubChem (CID 136558459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).