[2-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]quinolin-4-yl]-morpholin-4-ylmethanone

C26H29N3O4 — CID 92638405

IUPAC[2-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]quinolin-4-yl]-morpholin-4-ylmethanone
SMILESCOc1cccc(CN2CCO[C@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)c1
InChIInChI=1S/C26H29N3O4/c1-31-20-6-4-5-19(15-20)17-28-9-14-33-25(18-28)24-16-22(21-7-2-3-8-23(21)27-24)26(30)29-10-12-32-13-11-29/h2-8,15-16,25H,9-14,17-18H2,1H3/t25-/m0/s1
InChIKeyMAWGZCULHJOPSS-VWLOTQADSA-N
MW447.54 g/mol
LogP3.29
Rot. Bonds5

About [2-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]quinolin-4-yl]-morpholin-4-ylmethanone

[2-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]quinolin-4-yl]-morpholin-4-ylmethanone (PubChem CID 92638405) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is [2-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]quinolin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]quinolin-4-yl]-morpholin-4-ylmethanone
PubChem CID92638405
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Name[2-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]quinolin-4-yl]-morpholin-4-ylmethanone
SMILESCOc1cccc(CN2CCO[C@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)c1
InChIInChI=1S/C26H29N3O4/c1-31-20-6-4-5-19(15-20)17-28-9-14-33-25(18-28)24-16-22(21-7-2-3-8-23(21)27-24)26(30)29-10-12-32-13-11-29/h2-8,15-16,25H,9-14,17-18H2,1H3/t25-/m0/s1
InChIKeyMAWGZCULHJOPSS-VWLOTQADSA-N
XLogP3.29
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

morpholin-4-yl-[2-[(2S)-4-propylmorpholin-2-yl]quinolin-4-yl]methanone
CID 92639103
[2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]quinolin-4-yl]-morpholin-4-ylmethanone
CID 110251874
1-[2-[4-(morpholine-4-carbonyl)quinolin-2-yl]morpholin-4-yl]ethanone
CID 110251795
[2-[4-(morpholine-4-carbonyl)quinolin-2-yl]morpholin-4-yl]-phenylmethanone
CID 110251818
morpholin-4-yl-(2-morpholin-2-ylquinolin-4-yl)methanone
CID 110089333
1-[3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 110251602
1-[(3R)-3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 92638688
2-[4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide
CID 110251829
cyclopropyl-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methanone
CID 99786810
[2-(2,5-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 35330401
4-[(3-methoxyphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 46956717
2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 110251973

Frequently Asked Questions

What is the IUPAC name of [2-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]quinolin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]quinolin-4-yl]-morpholin-4-ylmethanone (CID 92638405) is [2-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]quinolin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]quinolin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]quinolin-4-yl]-morpholin-4-ylmethanone is COc1cccc(CN2CCO[C@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)c1.
What is the InChIKey of [2-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]quinolin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is MAWGZCULHJOPSS-VWLOTQADSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-31-20-6-4-5-19(15-20)17-28-9-14-33-25(18-28)24-16-22(21-7-2-3-8-23(21)27-24)26(30)29-10-12-32-13-11-29/h2-8,15-16,25H,9-14,17-18H2,1H3/t25-/m0/s1.
What are the key properties of [2-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]quinolin-4-yl]-morpholin-4-ylmethanone?
[2-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]quinolin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 447.54 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]quinolin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 92638405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).