[1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl]-(oxazinan-2-yl)methanone

C21H27N3O3 — CID 97361353

IUPAC[1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl]-(oxazinan-2-yl)methanone
SMILESCOCCn1c(C(=O)N2CCCCO2)cc2c1c1ccccc1n2C(C)C
InChIInChI=1S/C21H27N3O3/c1-15(2)24-17-9-5-4-8-16(17)20-18(24)14-19(22(20)11-13-26-3)21(25)23-10-6-7-12-27-23/h4-5,8-9,14-15H,6-7,10-13H2,1-3H3
InChIKeyRWLXCDQMYHTDTI-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.99
Rot. Bonds5

About [1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl]-(oxazinan-2-yl)methanone

[1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl]-(oxazinan-2-yl)methanone (PubChem CID 97361353) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is [1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl]-(oxazinan-2-yl)methanone.

Molecular Properties

Compound Name[1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl]-(oxazinan-2-yl)methanone
PubChem CID97361353
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name[1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl]-(oxazinan-2-yl)methanone
SMILESCOCCn1c(C(=O)N2CCCCO2)cc2c1c1ccccc1n2C(C)C
InChIInChI=1S/C21H27N3O3/c1-15(2)24-17-9-5-4-8-16(17)20-18(24)14-19(22(20)11-13-26-3)21(25)23-10-6-7-12-27-23/h4-5,8-9,14-15H,6-7,10-13H2,1-3H3
InChIKeyRWLXCDQMYHTDTI-UHFFFAOYSA-N
XLogP3.99
TPSA48.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxylic acid
CID 124544362
[1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 155850470
N-(3-fluorophenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361332
N-(2,3-dimethylphenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361339
[1-(2-methoxyethyl)-4-methylpyrrolo[3,2-b]indol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 97441766
N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155846697
(1-methyl-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 134075238
2-N-(3-methoxypropyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 97361407
N-[(2-methoxyphenyl)methyl]-1-methyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361374
N-ethyl-1-methyl-4-propan-2-yl-N-propylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441936
N-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-4-methylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361270
4-chloro-1-(2-methoxyethyl)indole-2-carboxylic acid
CID 175352139

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl]-(oxazinan-2-yl)methanone?
The IUPAC name of [1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl]-(oxazinan-2-yl)methanone (CID 97361353) is [1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl]-(oxazinan-2-yl)methanone.
What is the SMILES notation for [1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl]-(oxazinan-2-yl)methanone?
The canonical SMILES for [1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl]-(oxazinan-2-yl)methanone is COCCn1c(C(=O)N2CCCCO2)cc2c1c1ccccc1n2C(C)C.
What is the InChIKey of [1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl]-(oxazinan-2-yl)methanone?
The InChIKey is RWLXCDQMYHTDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15(2)24-17-9-5-4-8-16(17)20-18(24)14-19(22(20)11-13-26-3)21(25)23-10-6-7-12-27-23/h4-5,8-9,14-15H,6-7,10-13H2,1-3H3.
What are the key properties of [1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl]-(oxazinan-2-yl)methanone?
[1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl]-(oxazinan-2-yl)methanone has a molecular weight of 369.47 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl]-(oxazinan-2-yl)methanone is sourced from PubChem (CID 97361353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).