[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone

C22H22N2O4 — CID 5163321

IUPAC[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCOCC3)c3ccccc3n2)cc1OC
InChIInChI=1S/C22H22N2O4/c1-26-20-8-7-15(13-21(20)27-2)19-14-17(16-5-3-4-6-18(16)23-19)22(25)24-9-11-28-12-10-24/h3-8,13-14H,9-12H2,1-2H3
InChIKeyNUAIJGXUQRYZBY-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.39
Rot. Bonds4

About [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone

[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone (PubChem CID 5163321) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
PubChem CID5163321
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCOCC3)c3ccccc3n2)cc1OC
InChIInChI=1S/C22H22N2O4/c1-26-20-8-7-15(13-21(20)27-2)19-14-17(16-5-3-4-6-18(16)23-19)22(25)24-9-11-28-12-10-24/h3-8,13-14H,9-12H2,1-2H3
InChIKeyNUAIJGXUQRYZBY-UHFFFAOYSA-N
XLogP3.39
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Cct251236
CID 117996749
4-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-2-(4-ethoxyphenyl)quinoline
CID 3241312
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide
CID 11362483
3,4-dimethoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
CID 1504527
4-methoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
CID 4915921
2-(3,4-Dimethoxyphenyl)quinoline-4-carboxylic acid
CID 673703
2-(4-Ethoxyphenyl)-4-[(4-methylpiperazin-1-yl)carbonyl]quinoline
CID 1540951
Ethyl 4-{[2-(4-ethoxyphenyl)quinolin-4-yl]carbonyl}piperazine-1-carboxylate
CID 3237815
N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-(phenylamino)quinoline-4-carboxamide
CID 4147575
Piperazine, 4-benzoyl-1-[1,2-dioxo-2-(6-methoxy-2-quinolinyl)ethyl]-2-methyl-
CID 5280289
(3S,4S)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxane-4-carboxamide
CID 44446361
2-(3,4-dimethoxyphenyl)-N-(2-furylmethyl)-4-quinolinecarboxamide
CID 1009671

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone (CID 5163321) is [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone is COc1ccc(-c2cc(C(=O)N3CCOCC3)c3ccccc3n2)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is NUAIJGXUQRYZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-26-20-8-7-15(13-21(20)27-2)19-14-17(16-5-3-4-6-18(16)23-19)22(25)24-9-11-28-12-10-24/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone?
[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 378.43 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 5163321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).