[2-(4-methoxyphenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone

C22H22N2O3 — CID 1331320

IUPAC[2-(4-methoxyphenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCOCC3)c3cc(C)ccc3n2)cc1
InChIInChI=1S/C22H22N2O3/c1-15-3-8-20-18(13-15)19(22(25)24-9-11-27-12-10-24)14-21(23-20)16-4-6-17(26-2)7-5-16/h3-8,13-14H,9-12H2,1-2H3
InChIKeyDOEHCDRFBSIAMJ-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.69
Rot. Bonds3

About [2-(4-methoxyphenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone

[2-(4-methoxyphenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone (PubChem CID 1331320) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone
PubChem CID1331320
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name[2-(4-methoxyphenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCOCC3)c3cc(C)ccc3n2)cc1
InChIInChI=1S/C22H22N2O3/c1-15-3-8-20-18(13-15)19(22(25)24-9-11-27-12-10-24)14-21(23-20)16-4-6-17(26-2)7-5-16/h3-8,13-14H,9-12H2,1-2H3
InChIKeyDOEHCDRFBSIAMJ-UHFFFAOYSA-N
XLogP3.69
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Dibucaine
CID 3025
Jnj16259685
CID 11313361
4-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-2-(4-ethoxyphenyl)quinoline
CID 3241312
N-(4-(2-(hydroxyamino)-2-oxoethyl)piperidin-4-yl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 10160968
R214127
CID 10470232
Carbazole-3-carboxamide analog 1
CID 46871948
N-(3-(hydroxyamino)-3-oxopropyl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 10293089
(3R,4S)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide
CID 44446357
(3S,4S)-N-hydroxy-3-(4-((2-methylquinolin-4-yl)methoxy)benzamido)piperidine-4-carboxamide
CID 44446358
(6S)-6-benzyl-1-[[3-(difluoromethoxy)phenyl]methyl]-4-(6-methylquinoline-2-carbonyl)piperazin-2-one
CID 122600574
N-(4-ethoxyphenyl)-2-methoxyquinoline-4-carboxamide
CID 705265
N-[2-(4-methoxyphenyl)ethyl]quinoline-2-carboxamide
CID 2093012

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(4-methoxyphenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone (CID 1331320) is [2-(4-methoxyphenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(4-methoxyphenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(4-methoxyphenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone is COc1ccc(-c2cc(C(=O)N3CCOCC3)c3cc(C)ccc3n2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is DOEHCDRFBSIAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-15-3-8-20-18(13-15)19(22(25)24-9-11-27-12-10-24)14-21(23-20)16-4-6-17(26-2)7-5-16/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of [2-(4-methoxyphenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone?
[2-(4-methoxyphenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 362.43 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 1331320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).