4-[2-[(4-methoxyphenyl)methoxy]-6-phenoxathiin-4-yl-4-pyridinyl]morpholine

C29H26N2O4S — CID 121393888

IUPAC4-[2-[(4-methoxyphenyl)methoxy]-6-phenoxathiin-4-yl-4-pyridinyl]morpholine
SMILESCOc1ccc(COc2cc(N3CCOCC3)cc(-c3cccc4c3Oc3ccccc3S4)n2)cc1
InChIInChI=1S/C29H26N2O4S/c1-32-22-11-9-20(10-12-22)19-34-28-18-21(31-13-15-33-16-14-31)17-24(30-28)23-5-4-8-27-29(23)35-25-6-2-3-7-26(25)36-27/h2-12,17-18H,13-16,19H2,1H3
InChIKeyKYVUEKMMKNCNMO-UHFFFAOYSA-N
MW498.60 g/mol
LogP6.43
Rot. Bonds6

About 4-[2-[(4-methoxyphenyl)methoxy]-6-phenoxathiin-4-yl-4-pyridinyl]morpholine

4-[2-[(4-methoxyphenyl)methoxy]-6-phenoxathiin-4-yl-4-pyridinyl]morpholine (PubChem CID 121393888) has the molecular formula C29H26N2O4S and a molecular weight of 498.60 g/mol. Its IUPAC name is 4-[2-[(4-methoxyphenyl)methoxy]-6-phenoxathiin-4-yl-4-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[2-[(4-methoxyphenyl)methoxy]-6-phenoxathiin-4-yl-4-pyridinyl]morpholine
PubChem CID121393888
Molecular FormulaC29H26N2O4S
Molecular Weight498.60 g/mol
Exact Mass498.16
IUPAC Name4-[2-[(4-methoxyphenyl)methoxy]-6-phenoxathiin-4-yl-4-pyridinyl]morpholine
SMILESCOc1ccc(COc2cc(N3CCOCC3)cc(-c3cccc4c3Oc3ccccc3S4)n2)cc1
InChIInChI=1S/C29H26N2O4S/c1-32-22-11-9-20(10-12-22)19-34-28-18-21(31-13-15-33-16-14-31)17-24(30-28)23-5-4-8-27-29(23)35-25-6-2-3-7-26(25)36-27/h2-12,17-18H,13-16,19H2,1H3
InChIKeyKYVUEKMMKNCNMO-UHFFFAOYSA-N
XLogP6.43
TPSA53.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.60
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[5-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]-9H-xanthen-3-yl]carbamic acid
CID 121393843
4-[2-methoxy-6-(7-methoxy-9H-thioxanthen-4-yl)-4-pyridinyl]morpholine
CID 164614961
methyl (2S)-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]pyrrolidine-2-carboxylate
CID 156749567
3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-ylbenzene-1,2-diamine
CID 139342854
6-[8-[(3-methoxy-2-pyridinyl)methylamino]phenoxathiin-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 154407618
4-[5-[(4-methoxyphenyl)methoxy]-2-methylquinazolin-7-yl]morpholine
CID 139330647
3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-yl-2-nitroaniline
CID 139331354
15-(4-methoxyphenyl)-2,5,12,18-tetraoxa-15-azatricyclo[17.4.0.06,11]tricosa-1(23),6,8,10,19,21-hexaene
CID 101382430
7-benzylazepan-2-one;7-benzyl-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]azepan-2-one;(7R)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one;(7S)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one
CID 159078005
4-[1-[(4-methoxyphenyl)methyl]-2H-pyrido[3,2-d]pyrimidin-7-yl]morpholine
CID 162348657
6-[(4-methoxyphenyl)methoxy]-N-methylpyridin-2-amine
CID 80865107
2-[(4-methoxyphenyl)methoxy]-N,N,N'-trimethyl-6-(methylideneamino)-4-morpholin-4-ylbenzenecarboximidamide
CID 139338480

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-methoxyphenyl)methoxy]-6-phenoxathiin-4-yl-4-pyridinyl]morpholine?
The IUPAC name of 4-[2-[(4-methoxyphenyl)methoxy]-6-phenoxathiin-4-yl-4-pyridinyl]morpholine (CID 121393888) is 4-[2-[(4-methoxyphenyl)methoxy]-6-phenoxathiin-4-yl-4-pyridinyl]morpholine.
What is the SMILES notation for 4-[2-[(4-methoxyphenyl)methoxy]-6-phenoxathiin-4-yl-4-pyridinyl]morpholine?
The canonical SMILES for 4-[2-[(4-methoxyphenyl)methoxy]-6-phenoxathiin-4-yl-4-pyridinyl]morpholine is COc1ccc(COc2cc(N3CCOCC3)cc(-c3cccc4c3Oc3ccccc3S4)n2)cc1.
What is the InChIKey of 4-[2-[(4-methoxyphenyl)methoxy]-6-phenoxathiin-4-yl-4-pyridinyl]morpholine?
The InChIKey is KYVUEKMMKNCNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O4S/c1-32-22-11-9-20(10-12-22)19-34-28-18-21(31-13-15-33-16-14-31)17-24(30-28)23-5-4-8-27-29(23)35-25-6-2-3-7-26(25)36-27/h2-12,17-18H,13-16,19H2,1H3.
What are the key properties of 4-[2-[(4-methoxyphenyl)methoxy]-6-phenoxathiin-4-yl-4-pyridinyl]morpholine?
4-[2-[(4-methoxyphenyl)methoxy]-6-phenoxathiin-4-yl-4-pyridinyl]morpholine has a molecular weight of 498.60 g/mol, XLogP of 6.43, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-methoxyphenyl)methoxy]-6-phenoxathiin-4-yl-4-pyridinyl]morpholine is sourced from PubChem (CID 121393888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).