3-[(2-methylphenyl)methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one;hydrochloride

C28H25ClN2O — CID 19438945

IUPAC3-[(2-methylphenyl)methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one;hydrochloride
SMILESCc1ccccc1CC1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21.Cl
InChIInChI=1S/C28H24N2O.ClH/c1-21-9-5-6-10-23(21)20-28(19-22-15-17-29-18-16-22)25-13-7-8-14-26(25)30(27(28)31)24-11-3-2-4-12-24;/h2-18H,19-20H2,1H3;1H
InChIKeyWVOMLZQJFSDPDS-UHFFFAOYSA-N
MW440.97 g/mol
LogP6.21
Rot. Bonds5

About 3-[(2-methylphenyl)methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one;hydrochloride

3-[(2-methylphenyl)methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one;hydrochloride (PubChem CID 19438945) has the molecular formula C28H25ClN2O and a molecular weight of 440.97 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one;hydrochloride.

Molecular Properties

Compound Name3-[(2-methylphenyl)methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one;hydrochloride
PubChem CID19438945
Molecular FormulaC28H25ClN2O
Molecular Weight440.97 g/mol
Exact Mass440.17
IUPAC Name3-[(2-methylphenyl)methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one;hydrochloride
SMILESCc1ccccc1CC1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21.Cl
InChIInChI=1S/C28H24N2O.ClH/c1-21-9-5-6-10-23(21)20-28(19-22-15-17-29-18-16-22)25-13-7-8-14-26(25)30(27(28)31)24-11-3-2-4-12-24;/h2-18H,19-20H2,1H3;1H
InChIKeyWVOMLZQJFSDPDS-UHFFFAOYSA-N
XLogP6.21
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.97
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one;chloride;hydrate
CID 45114239
3-[(2-fluorophenyl)methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one
CID 19438958
1-(3-chlorophenyl)-3,3-bis(pyridin-4-ylmethyl)indol-2-one
CID 14209559
5-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]pentanenitrile;hydrochloride
CID 19438972
ethyl 5-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]pentanoate;hydrochloride
CID 45264954
1-(4-methylpiperazin-1-yl)-3,3-bis(pyridin-4-ylmethyl)indol-2-one;dihydrochloride
CID 23353973
1-(4-chlorophenyl)-3,3-bis(pyridin-4-ylmethyl)pyrrolo[2,3-b]pyridin-2-one;dihydrochloride
CID 19104986
2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid;ethyl 4-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]butanoate
CID 157456156
10,10-bis(pyridin-4-ylmethyl)anthracen-9-one
CID 656732
3-hydroxy-1-[(2-methylphenyl)methyl]-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one
CID 2927717
3,3-bis[(1-methyl-3,6-dihydro-2H-pyridin-6-yl)methyl]-1-phenylindol-2-one
CID 20978616
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide
CID 56864431

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one;hydrochloride?
The IUPAC name of 3-[(2-methylphenyl)methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one;hydrochloride (CID 19438945) is 3-[(2-methylphenyl)methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one;hydrochloride.
What is the SMILES notation for 3-[(2-methylphenyl)methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one;hydrochloride?
The canonical SMILES for 3-[(2-methylphenyl)methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one;hydrochloride is Cc1ccccc1CC1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21.Cl.
What is the InChIKey of 3-[(2-methylphenyl)methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one;hydrochloride?
The InChIKey is WVOMLZQJFSDPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O.ClH/c1-21-9-5-6-10-23(21)20-28(19-22-15-17-29-18-16-22)25-13-7-8-14-26(25)30(27(28)31)24-11-3-2-4-12-24;/h2-18H,19-20H2,1H3;1H.
What are the key properties of 3-[(2-methylphenyl)methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one;hydrochloride?
3-[(2-methylphenyl)methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one;hydrochloride has a molecular weight of 440.97 g/mol, XLogP of 6.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one;hydrochloride is sourced from PubChem (CID 19438945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).