2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-ium-4-yl-1-pyrrolidin-1-ylbutan-1-one chloride

C24H33ClN4O4 — CID 110173894

IUPAC2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-ium-4-yl-1-pyrrolidin-1-ylbutan-1-one chloride
SMILESCOc1cccc(C(CC[NH+]2CCOCC2)(C(=O)N2CCCC2)c2cccc(OC)n2)n1.[Cl-]
InChIInChI=1S/C24H32N4O4.ClH/c1-30-21-9-5-7-19(25-21)24(23(29)28-12-3-4-13-28,11-14-27-15-17-32-18-16-27)20-8-6-10-22(26-20)31-2;/h5-10H,3-4,11-18H2,1-2H3;1H
InChIKeyKNRXMPQKWDUREW-UHFFFAOYSA-N
MW477.01 g/mol
LogP-2.29
Rot. Bonds8

About 2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-ium-4-yl-1-pyrrolidin-1-ylbutan-1-one chloride

2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-ium-4-yl-1-pyrrolidin-1-ylbutan-1-one chloride (PubChem CID 110173894) has the molecular formula C24H33ClN4O4 and a molecular weight of 477.01 g/mol. Its IUPAC name is 2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-ium-4-yl-1-pyrrolidin-1-ylbutan-1-one chloride.

Molecular Properties

Compound Name2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-ium-4-yl-1-pyrrolidin-1-ylbutan-1-one chloride
PubChem CID110173894
Molecular FormulaC24H33ClN4O4
Molecular Weight477.01 g/mol
Exact Mass476.22
IUPAC Name2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-ium-4-yl-1-pyrrolidin-1-ylbutan-1-one chloride
SMILESCOc1cccc(C(CC[NH+]2CCOCC2)(C(=O)N2CCCC2)c2cccc(OC)n2)n1.[Cl-]
InChIInChI=1S/C24H32N4O4.ClH/c1-30-21-9-5-7-19(25-21)24(23(29)28-12-3-4-13-28,11-14-27-15-17-32-18-16-27)20-8-6-10-22(26-20)31-2;/h5-10H,3-4,11-18H2,1-2H3;1H
InChIKeyKNRXMPQKWDUREW-UHFFFAOYSA-N
XLogP-2.29
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.01
LogP ≤ 5-2.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-ium-4-yl-1-pyrrolidin-1-ylbutan-1-one chloride 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

2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-yl-1-pyrrolidin-1-ylbutan-1-one
CID 110173895
4-morpholin-4-ium-4-yl-2,2-dipyridin-2-yl-1-pyrrolidin-1-ylpentan-1-one chloride
CID 110173853
N,N-dimethyl-4-morpholin-4-ium-4-yl-2-phenyl-2-pyridin-2-ylbutanamide chloride
CID 110173845
[2-chloro-6-(2-morpholin-4-ium-4-ylethoxy)-4-pyridinyl]-piperidin-1-ylmethanone chloride
CID 110176066
[4-(2-hydroxyethyl)piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone
CID 84581420
1-(6-methoxynaphthalen-2-yl)-3-morpholin-4-ium-4-ylpropan-1-one chloride
CID 2748202
2-[(6-methoxy-2-pyridinyl)methylamino]-1-morpholin-4-ylbutan-1-one
CID 122145617
methyl 4-[(6-methoxy-2-pyridinyl)methyl]morpholine-3-carboxylate
CID 113247750
4-[2-[(6-ethoxy-2-pyridinyl)sulfanyl]ethyl]morpholin-4-ium chloride
CID 110174512
methyl 6-(morpholine-4-carbonyl)pyridine-2-carboxylate
CID 47244996
4-benzoyl-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide
CID 8787567
1-[4-(4-methoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 133282780

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-ium-4-yl-1-pyrrolidin-1-ylbutan-1-one chloride?
The IUPAC name of 2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-ium-4-yl-1-pyrrolidin-1-ylbutan-1-one chloride (CID 110173894) is 2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-ium-4-yl-1-pyrrolidin-1-ylbutan-1-one chloride.
What is the SMILES notation for 2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-ium-4-yl-1-pyrrolidin-1-ylbutan-1-one chloride?
The canonical SMILES for 2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-ium-4-yl-1-pyrrolidin-1-ylbutan-1-one chloride is COc1cccc(C(CC[NH+]2CCOCC2)(C(=O)N2CCCC2)c2cccc(OC)n2)n1.[Cl-].
What is the InChIKey of 2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-ium-4-yl-1-pyrrolidin-1-ylbutan-1-one chloride?
The InChIKey is KNRXMPQKWDUREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4.ClH/c1-30-21-9-5-7-19(25-21)24(23(29)28-12-3-4-13-28,11-14-27-15-17-32-18-16-27)20-8-6-10-22(26-20)31-2;/h5-10H,3-4,11-18H2,1-2H3;1H.
What are the key properties of 2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-ium-4-yl-1-pyrrolidin-1-ylbutan-1-one chloride?
2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-ium-4-yl-1-pyrrolidin-1-ylbutan-1-one chloride has a molecular weight of 477.01 g/mol, XLogP of -2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-ium-4-yl-1-pyrrolidin-1-ylbutan-1-one chloride is sourced from PubChem (CID 110173894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).