(4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one

C24H24ClN3O2 — CID 40975344

IUPAC(4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCc3ccccc3C2)CN1CCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C24H24ClN3O2/c25-20-5-6-22-21(12-20)17(13-26-22)8-9-27-15-19(11-23(27)29)24(30)28-10-7-16-3-1-2-4-18(16)14-28/h1-6,12-13,19,26H,7-11,14-15H2/t19-/m1/s1
InChIKeyKEQRKOHRNAWGSH-LJQANCHMSA-N
MW421.93 g/mol
LogP3.80
Rot. Bonds4

About (4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one

(4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one (PubChem CID 40975344) has the molecular formula C24H24ClN3O2 and a molecular weight of 421.93 g/mol. Its IUPAC name is (4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
PubChem CID40975344
Molecular FormulaC24H24ClN3O2
Molecular Weight421.93 g/mol
Exact Mass421.16
IUPAC Name(4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCc3ccccc3C2)CN1CCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C24H24ClN3O2/c25-20-5-6-22-21(12-20)17(13-26-22)8-9-27-15-19(11-23(27)29)24(30)28-10-7-16-3-1-2-4-18(16)14-28/h1-6,12-13,19,26H,7-11,14-15H2/t19-/m1/s1
InChIKeyKEQRKOHRNAWGSH-LJQANCHMSA-N
XLogP3.80
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 50745087
(3R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 92717730
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 113184636
1-butyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17082685
(3S)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 6967212
(4S)-1-(4-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
CID 7337143
2-[2-(5-chloro-1H-indol-3-yl)acetyl]-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
CID 110633057
(4R)-4-(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one
CID 94664366
(3S)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 40966304
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 42881975
1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113184907
N-(3,4-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46172106

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one (CID 40975344) is (4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one is O=C1C[C@@H](C(=O)N2CCc3ccccc3C2)CN1CCc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of (4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one?
The InChIKey is KEQRKOHRNAWGSH-LJQANCHMSA-N. The full InChI is InChI=1S/C24H24ClN3O2/c25-20-5-6-22-21(12-20)17(13-26-22)8-9-27-15-19(11-23(27)29)24(30)28-10-7-16-3-1-2-4-18(16)14-28/h1-6,12-13,19,26H,7-11,14-15H2/t19-/m1/s1.
What are the key properties of (4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one?
(4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one has a molecular weight of 421.93 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 40975344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).