[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone

C24H28N2O4 — CID 10319284

IUPAC[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3c(OC)cccc23)cc1
InChIInChI=1S/C24H28N2O4/c1-17-22(24(27)18-7-9-19(28-2)10-8-18)20-5-4-6-21(29-3)23(20)26(17)12-11-25-13-15-30-16-14-25/h4-10H,11-16H2,1-3H3
InChIKeyPYVBPJVNQJWTHT-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.53
Rot. Bonds7

About [7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone

[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone (PubChem CID 10319284) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is [7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone
PubChem CID10319284
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3c(OC)cccc23)cc1
InChIInChI=1S/C24H28N2O4/c1-17-22(24(27)18-7-9-19(28-2)10-8-18)20-5-4-6-21(29-3)23(20)26(17)12-11-25-13-15-30-16-14-25/h4-10H,11-16H2,1-3H3
InChIKeyPYVBPJVNQJWTHT-UHFFFAOYSA-N
XLogP3.53
TPSA52.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methoxyphenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 56841530
Win 55212-2
CID 5311501
AM-630
CID 4302963
Pravadoline
CID 56463
Jwh 302
CID 11493740
(5-Methyl-3-(morpholinomethyl)-2,3-dihydro-[1,4]oxazino[2,3,4-hi]indol-6-yl)(naphthalen-1-yl)methanone
CID 5689
2-Methyl-1-pentyl-3-(4-methoxynaphthoyl)indole
CID 45272116
Unii-1U7V49ntqg
CID 10091392
7-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 11595816
WIN-55212-2 mesylate
CID 6604176
Win 54,461
CID 9868699
Duometacin
CID 71912

Frequently Asked Questions

What is the IUPAC name of [7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone (CID 10319284) is [7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3c(OC)cccc23)cc1.
What is the InChIKey of [7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone?
The InChIKey is PYVBPJVNQJWTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-17-22(24(27)18-7-9-19(28-2)10-8-18)20-5-4-6-21(29-3)23(20)26(17)12-11-25-13-15-30-16-14-25/h4-10H,11-16H2,1-3H3.
What are the key properties of [7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone?
[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone has a molecular weight of 408.50 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 10319284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).