(3R)-3-hydroxy-1-naphthalen-1-yl-3-(pyridin-4-ylmethyl)indol-2-one

C24H18N2O2 — CID 42553623

IUPAC(3R)-3-hydroxy-1-naphthalen-1-yl-3-(pyridin-4-ylmethyl)indol-2-one
SMILESO=C1N(c2cccc3ccccc23)c2ccccc2[C@]1(O)Cc1ccncc1
InChIInChI=1S/C24H18N2O2/c27-23-24(28,16-17-12-14-25-15-13-17)20-9-3-4-10-22(20)26(23)21-11-5-7-18-6-1-2-8-19(18)21/h1-15,28H,16H2/t24-/m1/s1
InChIKeyHBUWDTDTTFQNHV-XMMPIXPASA-N
MW366.42 g/mol
LogP4.34
Rot. Bonds3

About (3R)-3-hydroxy-1-naphthalen-1-yl-3-(pyridin-4-ylmethyl)indol-2-one

(3R)-3-hydroxy-1-naphthalen-1-yl-3-(pyridin-4-ylmethyl)indol-2-one (PubChem CID 42553623) has the molecular formula C24H18N2O2 and a molecular weight of 366.42 g/mol. Its IUPAC name is (3R)-3-hydroxy-1-naphthalen-1-yl-3-(pyridin-4-ylmethyl)indol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-1-naphthalen-1-yl-3-(pyridin-4-ylmethyl)indol-2-one
PubChem CID42553623
Molecular FormulaC24H18N2O2
Molecular Weight366.42 g/mol
Exact Mass366.14
IUPAC Name(3R)-3-hydroxy-1-naphthalen-1-yl-3-(pyridin-4-ylmethyl)indol-2-one
SMILESO=C1N(c2cccc3ccccc23)c2ccccc2[C@]1(O)Cc1ccncc1
InChIInChI=1S/C24H18N2O2/c27-23-24(28,16-17-12-14-25-15-13-17)20-9-3-4-10-22(20)26(23)21-11-5-7-18-6-1-2-8-19(18)21/h1-15,28H,16H2/t24-/m1/s1
InChIKeyHBUWDTDTTFQNHV-XMMPIXPASA-N
XLogP4.34
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(pyridin-4-ylmethyl)indol-2-one
CID 7328364
1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one;chloride;hydrate
CID 45114239
1-(3-chlorophenyl)-3,3-bis(pyridin-4-ylmethyl)indol-2-one
CID 14209559
3-hydroxy-1-methyl-3-(pyridin-3-ylmethyl)indol-2-one
CID 142721308
3-benzyl-3-hydroxy-2-oxoindole-1-carbaldehyde
CID 143313949
3-[(2-fluorophenyl)methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one
CID 19438958
3-[(2-methylphenyl)methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one;hydrochloride
CID 19438945
ethyl 5-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]pentanoate;hydrochloride
CID 45264954
(3R,3aS,6aR)-5-naphthalen-1-yl-2-phenyl-3-pyridin-4-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 100822613
(3R,3aR,6aR)-5-naphthalen-1-yl-2-phenyl-3-pyridin-4-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 51575701
5,5-dimethyl-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 101253914
(3R)-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 798655

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-1-naphthalen-1-yl-3-(pyridin-4-ylmethyl)indol-2-one?
The IUPAC name of (3R)-3-hydroxy-1-naphthalen-1-yl-3-(pyridin-4-ylmethyl)indol-2-one (CID 42553623) is (3R)-3-hydroxy-1-naphthalen-1-yl-3-(pyridin-4-ylmethyl)indol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-1-naphthalen-1-yl-3-(pyridin-4-ylmethyl)indol-2-one?
The canonical SMILES for (3R)-3-hydroxy-1-naphthalen-1-yl-3-(pyridin-4-ylmethyl)indol-2-one is O=C1N(c2cccc3ccccc23)c2ccccc2[C@]1(O)Cc1ccncc1.
What is the InChIKey of (3R)-3-hydroxy-1-naphthalen-1-yl-3-(pyridin-4-ylmethyl)indol-2-one?
The InChIKey is HBUWDTDTTFQNHV-XMMPIXPASA-N. The full InChI is InChI=1S/C24H18N2O2/c27-23-24(28,16-17-12-14-25-15-13-17)20-9-3-4-10-22(20)26(23)21-11-5-7-18-6-1-2-8-19(18)21/h1-15,28H,16H2/t24-/m1/s1.
What are the key properties of (3R)-3-hydroxy-1-naphthalen-1-yl-3-(pyridin-4-ylmethyl)indol-2-one?
(3R)-3-hydroxy-1-naphthalen-1-yl-3-(pyridin-4-ylmethyl)indol-2-one has a molecular weight of 366.42 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-1-naphthalen-1-yl-3-(pyridin-4-ylmethyl)indol-2-one is sourced from PubChem (CID 42553623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).