1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-2-(3,4-dihydro-2H-chromen-3-yl)ethanone

C22H22ClNO3 — CID 149274122

IUPAC1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-2-(3,4-dihydro-2H-chromen-3-yl)ethanone
SMILESCOCCn1cc(C(=O)CC2COc3ccccc3C2)c2c(Cl)cccc21
InChIInChI=1S/C22H22ClNO3/c1-26-10-9-24-13-17(22-18(23)6-4-7-19(22)24)20(25)12-15-11-16-5-2-3-8-21(16)27-14-15/h2-8,13,15H,9-12,14H2,1H3
InChIKeyXRQSYPWNSHSZGX-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.77
Rot. Bonds6

About 1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-2-(3,4-dihydro-2H-chromen-3-yl)ethanone

1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-2-(3,4-dihydro-2H-chromen-3-yl)ethanone (PubChem CID 149274122) has the molecular formula C22H22ClNO3 and a molecular weight of 383.88 g/mol. Its IUPAC name is 1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-2-(3,4-dihydro-2H-chromen-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-2-(3,4-dihydro-2H-chromen-3-yl)ethanone
PubChem CID149274122
Molecular FormulaC22H22ClNO3
Molecular Weight383.88 g/mol
Exact Mass383.13
IUPAC Name1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-2-(3,4-dihydro-2H-chromen-3-yl)ethanone
SMILESCOCCn1cc(C(=O)CC2COc3ccccc3C2)c2c(Cl)cccc21
InChIInChI=1S/C22H22ClNO3/c1-26-10-9-24-13-17(22-18(23)6-4-7-19(22)24)20(25)12-15-11-16-5-2-3-8-21(16)27-14-15/h2-8,13,15H,9-12,14H2,1H3
InChIKeyXRQSYPWNSHSZGX-UHFFFAOYSA-N
XLogP4.77
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-2-(3,4-dihydro-2H-chromen-3-yl)ethanone with MolForge

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Related Compounds

2-methoxyethyl 2-(3,4-dihydro-2H-chromen-3-yl)acetate
CID 142636437
4-chloro-1-(2-methoxyethyl)indole-3-carboxylic acid;2-(trifluoromethyl)benzamide
CID 175105200
2-(3,4-dihydro-2H-chromen-3-yl)acetic acid;hydrochloride
CID 142636452
4-chloro-N-[(3,3-difluoro-1-hydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide
CID 121393286
3,4-dihydro-2H-chromen-3-ylmethyl hydrogen sulfite
CID 91592911
4-chloro-N-[[(1S,3S)-3-ethenyl-1-hydroxycyclohexyl]methyl]-1-(2-methoxyethyl)indole-3-carboxamide
CID 138752531
(4R)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 97284500
3-chloro-1-(2-methoxyethyl)-4-methylindole
CID 158655918
tert-butyl N-[3-chloro-1-(2-methoxyethyl)indol-4-yl]carbamate;ethane
CID 142556614
methyl 2-(6-chloro-3,4-dihydro-2H-chromen-3-yl)acetate
CID 102198272
1-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea
CID 100729075
1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carboxylic acid
CID 67256324

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-2-(3,4-dihydro-2H-chromen-3-yl)ethanone?
The IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-2-(3,4-dihydro-2H-chromen-3-yl)ethanone (CID 149274122) is 1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-2-(3,4-dihydro-2H-chromen-3-yl)ethanone.
What is the SMILES notation for 1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-2-(3,4-dihydro-2H-chromen-3-yl)ethanone?
The canonical SMILES for 1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-2-(3,4-dihydro-2H-chromen-3-yl)ethanone is COCCn1cc(C(=O)CC2COc3ccccc3C2)c2c(Cl)cccc21.
What is the InChIKey of 1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-2-(3,4-dihydro-2H-chromen-3-yl)ethanone?
The InChIKey is XRQSYPWNSHSZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO3/c1-26-10-9-24-13-17(22-18(23)6-4-7-19(22)24)20(25)12-15-11-16-5-2-3-8-21(16)27-14-15/h2-8,13,15H,9-12,14H2,1H3.
What are the key properties of 1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-2-(3,4-dihydro-2H-chromen-3-yl)ethanone?
1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-2-(3,4-dihydro-2H-chromen-3-yl)ethanone has a molecular weight of 383.88 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-2-(3,4-dihydro-2H-chromen-3-yl)ethanone is sourced from PubChem (CID 149274122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).