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

C25H21NO2 — CID 122219335

IUPAC(4-methoxyphenyl)-[(3R)-3-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone
SMILESCOc1ccc(C(=O)c2c3n(c4ccccc24)CC[C@@H]3c2ccccc2)cc1
InChIInChI=1S/C25H21NO2/c1-28-19-13-11-18(12-14-19)25(27)23-21-9-5-6-10-22(21)26-16-15-20(24(23)26)17-7-3-2-4-8-17/h2-14,20H,15-16H2,1H3/t20-/m1/s1
InChIKeyQDYJVXYQDWRLQQ-HXUWFJFHSA-N
MW367.45 g/mol
LogP5.42
Rot. Bonds4

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

(4-methoxyphenyl)-[(3R)-3-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone (PubChem CID 122219335) has the molecular formula C25H21NO2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (4-methoxyphenyl)-[(3R)-3-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[(3R)-3-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone
PubChem CID122219335
Molecular FormulaC25H21NO2
Molecular Weight367.45 g/mol
Exact Mass367.16
IUPAC Name(4-methoxyphenyl)-[(3R)-3-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone
SMILESCOc1ccc(C(=O)c2c3n(c4ccccc24)CC[C@@H]3c2ccccc2)cc1
InChIInChI=1S/C25H21NO2/c1-28-19-13-11-18(12-14-19)25(27)23-21-9-5-6-10-22(21)26-16-15-20(24(23)26)17-7-3-2-4-8-17/h2-14,20H,15-16H2,1H3/t20-/m1/s1
InChIKeyQDYJVXYQDWRLQQ-HXUWFJFHSA-N
XLogP5.42
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)-[(3R)-3-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone
CID 122219331
[1-(azetidin-3-yl)-2-methylindol-3-yl]-(4-methoxyphenyl)methanone
CID 15015514
(1-ethyl-2-methylindol-3-yl)-(4-methoxyphenyl)methanone
CID 71679096
(4-methoxyphenyl)-[1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone
CID 15169782
(4-methoxyphenyl)-[2-methyl-1-[(1-propylpiperidin-3-yl)methyl]indol-3-yl]methanone
CID 15015511
1-(4-methoxyphenyl)-2-methylindole-3-carboxylic acid
CID 172684717
(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-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
(4-methoxyphenyl)-[(2R,3R)-1-methyl-3-phenylaziridin-2-yl]methanone
CID 6562474
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
2-(4-methoxybenzoyl)-1-methylquinolin-4-one
CID 15733027

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[(3R)-3-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[(3R)-3-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone (CID 122219335) is (4-methoxyphenyl)-[(3R)-3-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[(3R)-3-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[(3R)-3-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone is COc1ccc(C(=O)c2c3n(c4ccccc24)CC[C@@H]3c2ccccc2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[(3R)-3-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone?
The InChIKey is QDYJVXYQDWRLQQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H21NO2/c1-28-19-13-11-18(12-14-19)25(27)23-21-9-5-6-10-22(21)26-16-15-20(24(23)26)17-7-3-2-4-8-17/h2-14,20H,15-16H2,1H3/t20-/m1/s1.
What are the key properties of (4-methoxyphenyl)-[(3R)-3-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone?
(4-methoxyphenyl)-[(3R)-3-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone has a molecular weight of 367.45 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[(3R)-3-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone is sourced from PubChem (CID 122219335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).