1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-phenyliminoindol-2-one

C24H21N3O — CID 1018072

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-phenyliminoindol-2-one
SMILESO=C1/C(=N/c2ccccc2)c2ccccc2N1CN1CCc2ccccc2C1
InChIInChI=1S/C24H21N3O/c28-24-23(25-20-10-2-1-3-11-20)21-12-6-7-13-22(21)27(24)17-26-15-14-18-8-4-5-9-19(18)16-26/h1-13H,14-17H2/b25-23+
InChIKeyOXJRAKCTMRITHZ-WJTDDFOZSA-N
MW367.45 g/mol
LogP4.17
Rot. Bonds3

About 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-phenyliminoindol-2-one

1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-phenyliminoindol-2-one (PubChem CID 1018072) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-phenyliminoindol-2-one.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-phenyliminoindol-2-one
PubChem CID1018072
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-phenyliminoindol-2-one
SMILESO=C1/C(=N/c2ccccc2)c2ccccc2N1CN1CCc2ccccc2C1
InChIInChI=1S/C24H21N3O/c28-24-23(25-20-10-2-1-3-11-20)21-12-6-7-13-22(21)27(24)17-26-15-14-18-8-4-5-9-19(18)16-26/h1-13H,14-17H2/b25-23+
InChIKeyOXJRAKCTMRITHZ-WJTDDFOZSA-N
XLogP4.17
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-(4-ethylphenyl)iminoindol-2-one
CID 17385505
3-phenylimino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one
CID 1254994
1-[(4-benzylpiperazin-1-yl)methyl]-3-[4-[[1-[(4-benzylpiperazin-1-yl)methyl]-2-oxoindol-3-ylidene]amino]phenyl]iminoindol-2-one
CID 100817066
1-ethyl-3-phenyliminoindol-2-one
CID 23936952
3-(4-methylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one
CID 746190
3-(4-iodophenyl)imino-1-[[(3S)-3-methylpiperidin-1-yl]methyl]indol-2-one
CID 92517755
1-(piperidin-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
CID 3463607
3-(4-methoxyphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one
CID 1250579
1-[(4-benzylpiperidin-1-yl)methyl]-3-(3-fluorophenyl)iminoindol-2-one
CID 3611317
1-[(3-methylpiperidin-1-yl)methyl]-3-(4-phenoxyphenyl)iminoindol-2-one
CID 17368137
1-[(4-methylpiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
CID 1041520
1-[(4-benzylpiperidin-1-yl)methyl]-3-(3,5-dimethylphenyl)iminoindol-2-one
CID 17370028

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-phenyliminoindol-2-one?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-phenyliminoindol-2-one (CID 1018072) is 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-phenyliminoindol-2-one.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-phenyliminoindol-2-one?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-phenyliminoindol-2-one is O=C1/C(=N/c2ccccc2)c2ccccc2N1CN1CCc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-phenyliminoindol-2-one?
The InChIKey is OXJRAKCTMRITHZ-WJTDDFOZSA-N. The full InChI is InChI=1S/C24H21N3O/c28-24-23(25-20-10-2-1-3-11-20)21-12-6-7-13-22(21)27(24)17-26-15-14-18-8-4-5-9-19(18)16-26/h1-13H,14-17H2/b25-23+.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-phenyliminoindol-2-one?
1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-phenyliminoindol-2-one has a molecular weight of 367.45 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-phenyliminoindol-2-one is sourced from PubChem (CID 1018072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).