(4-methoxyphenyl)-[1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone

C24H26N2O3 — CID 15169782

IUPAC(4-methoxyphenyl)-[1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone
SMILESCOc1ccc(C(=O)c2c3n(c4ccccc24)C(CN2CCOCC2)CC3)cc1
InChIInChI=1S/C24H26N2O3/c1-28-19-9-6-17(7-10-19)24(27)23-20-4-2-3-5-21(20)26-18(8-11-22(23)26)16-25-12-14-29-15-13-25/h2-7,9-10,18H,8,11-16H2,1H3
InChIKeyRRIKXSCKZOBQCX-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.70
Rot. Bonds5

About (4-methoxyphenyl)-[1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone

(4-methoxyphenyl)-[1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone (PubChem CID 15169782) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is (4-methoxyphenyl)-[1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone
PubChem CID15169782
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name(4-methoxyphenyl)-[1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone
SMILESCOc1ccc(C(=O)c2c3n(c4ccccc24)C(CN2CCOCC2)CC3)cc1
InChIInChI=1S/C24H26N2O3/c1-28-19-9-6-17(7-10-19)24(27)23-20-4-2-3-5-21(20)26-18(8-11-22(23)26)16-25-12-14-29-15-13-25/h2-7,9-10,18H,8,11-16H2,1H3
InChIKeyRRIKXSCKZOBQCX-UHFFFAOYSA-N
XLogP3.70
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxyphenyl)-[(11S)-2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone
CID 15030122
[3-(4-methoxybenzoyl)-1-(2-morpholin-4-ylethyl)indol-2-yl]methanesulfonic acid;hydrate
CID 139640512
(4-methoxyphenyl)-[11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone
CID 15030131
[1-(azetidin-3-yl)-2-methylindol-3-yl]-(4-methoxyphenyl)methanone
CID 15015514
(4-methoxyphenyl)-[(3R)-3-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone
CID 122219331
(4-methoxyphenyl)-[2-methyl-1-[(1-propylpiperidin-3-yl)methyl]indol-3-yl]methanone
CID 15015511
(4-methoxyphenyl)-[2-methyl-1-[(4-methylmorpholin-2-yl)methyl]indol-3-yl]methanone;hydrochloride
CID 18968741
(4-methoxyphenyl)-[2-methyl-1-[(4-methylthiomorpholin-3-yl)methyl]indol-3-yl]methanone;hydrochloride
CID 18968777
(4-methoxyphenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11529384
(4-methoxyphenyl)-[(3R)-3-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone
CID 122219335
(1-ethyl-2-methylindol-3-yl)-(4-methoxyphenyl)methanone
CID 71679096
(4-methoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 22731230

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone (CID 15169782) is (4-methoxyphenyl)-[1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone is COc1ccc(C(=O)c2c3n(c4ccccc24)C(CN2CCOCC2)CC3)cc1.
What is the InChIKey of (4-methoxyphenyl)-[1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone?
The InChIKey is RRIKXSCKZOBQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-28-19-9-6-17(7-10-19)24(27)23-20-4-2-3-5-21(20)26-18(8-11-22(23)26)16-25-12-14-29-15-13-25/h2-7,9-10,18H,8,11-16H2,1H3.
What are the key properties of (4-methoxyphenyl)-[1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone?
(4-methoxyphenyl)-[1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone has a molecular weight of 390.48 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone is sourced from PubChem (CID 15169782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).