[4-(2-methoxypyridine-4-carbonyl)piperazin-1-yl]-[3-methoxy-4-(2H-quinolin-1-yl)phenyl]methanone

C28H28N4O4 — CID 141286684

IUPAC[4-(2-methoxypyridine-4-carbonyl)piperazin-1-yl]-[3-methoxy-4-(2H-quinolin-1-yl)phenyl]methanone
SMILESCOc1cc(C(=O)N2CCN(C(=O)c3ccc(N4CC=Cc5ccccc54)c(OC)c3)CC2)ccn1
InChIInChI=1S/C28H28N4O4/c1-35-25-18-21(9-10-24(25)32-13-5-7-20-6-3-4-8-23(20)32)27(33)30-14-16-31(17-15-30)28(34)22-11-12-29-26(19-22)36-2/h3-12,18-19H,13-17H2,1-2H3
InChIKeyNOILNPIZRVSVRK-UHFFFAOYSA-N
MW484.56 g/mol
LogP3.86
Rot. Bonds5

About [4-(2-methoxypyridine-4-carbonyl)piperazin-1-yl]-[3-methoxy-4-(2H-quinolin-1-yl)phenyl]methanone

[4-(2-methoxypyridine-4-carbonyl)piperazin-1-yl]-[3-methoxy-4-(2H-quinolin-1-yl)phenyl]methanone (PubChem CID 141286684) has the molecular formula C28H28N4O4 and a molecular weight of 484.56 g/mol. Its IUPAC name is [4-(2-methoxypyridine-4-carbonyl)piperazin-1-yl]-[3-methoxy-4-(2H-quinolin-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(2-methoxypyridine-4-carbonyl)piperazin-1-yl]-[3-methoxy-4-(2H-quinolin-1-yl)phenyl]methanone
PubChem CID141286684
Molecular FormulaC28H28N4O4
Molecular Weight484.56 g/mol
Exact Mass484.21
IUPAC Name[4-(2-methoxypyridine-4-carbonyl)piperazin-1-yl]-[3-methoxy-4-(2H-quinolin-1-yl)phenyl]methanone
SMILESCOc1cc(C(=O)N2CCN(C(=O)c3ccc(N4CC=Cc5ccccc54)c(OC)c3)CC2)ccn1
InChIInChI=1S/C28H28N4O4/c1-35-25-18-21(9-10-24(25)32-13-5-7-20-6-3-4-8-23(20)32)27(33)30-14-16-31(17-15-30)28(34)22-11-12-29-26(19-22)36-2/h3-12,18-19H,13-17H2,1-2H3
InChIKeyNOILNPIZRVSVRK-UHFFFAOYSA-N
XLogP3.86
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(2-methoxypyridine-4-carbonyl)piperazin-1-yl]-[3-methoxy-4-(2H-quinolin-1-yl)phenyl]methanone with MolForge

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Related Compounds

(2-methoxy-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 110849835
[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-[4-(2H-quinolin-1-yl)-3-(trifluoromethoxy)phenyl]methanone
CID 141352183
[4-(6-aminopyridine-3-carbonyl)-1,4-diazepan-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 134700221
(2-methoxy-4-pyridinyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 70726421
(4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121200428
(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121192069
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39572485
1-(2-methoxypyridine-4-carbonyl)piperidine-4-carboxamide
CID 84580487
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 122335043
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 70781900
(2-methoxy-4-pyridinyl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135104461

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxypyridine-4-carbonyl)piperazin-1-yl]-[3-methoxy-4-(2H-quinolin-1-yl)phenyl]methanone?
The IUPAC name of [4-(2-methoxypyridine-4-carbonyl)piperazin-1-yl]-[3-methoxy-4-(2H-quinolin-1-yl)phenyl]methanone (CID 141286684) is [4-(2-methoxypyridine-4-carbonyl)piperazin-1-yl]-[3-methoxy-4-(2H-quinolin-1-yl)phenyl]methanone.
What is the SMILES notation for [4-(2-methoxypyridine-4-carbonyl)piperazin-1-yl]-[3-methoxy-4-(2H-quinolin-1-yl)phenyl]methanone?
The canonical SMILES for [4-(2-methoxypyridine-4-carbonyl)piperazin-1-yl]-[3-methoxy-4-(2H-quinolin-1-yl)phenyl]methanone is COc1cc(C(=O)N2CCN(C(=O)c3ccc(N4CC=Cc5ccccc54)c(OC)c3)CC2)ccn1.
What is the InChIKey of [4-(2-methoxypyridine-4-carbonyl)piperazin-1-yl]-[3-methoxy-4-(2H-quinolin-1-yl)phenyl]methanone?
The InChIKey is NOILNPIZRVSVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4/c1-35-25-18-21(9-10-24(25)32-13-5-7-20-6-3-4-8-23(20)32)27(33)30-14-16-31(17-15-30)28(34)22-11-12-29-26(19-22)36-2/h3-12,18-19H,13-17H2,1-2H3.
What are the key properties of [4-(2-methoxypyridine-4-carbonyl)piperazin-1-yl]-[3-methoxy-4-(2H-quinolin-1-yl)phenyl]methanone?
[4-(2-methoxypyridine-4-carbonyl)piperazin-1-yl]-[3-methoxy-4-(2H-quinolin-1-yl)phenyl]methanone has a molecular weight of 484.56 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxypyridine-4-carbonyl)piperazin-1-yl]-[3-methoxy-4-(2H-quinolin-1-yl)phenyl]methanone is sourced from PubChem (CID 141286684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).