8-(1,3-dihydroisoindole-2-carbonyl)-3-methyl-2-phenylchromen-4-one

C25H19NO3 — CID 166196840

IUPAC8-(1,3-dihydroisoindole-2-carbonyl)-3-methyl-2-phenylchromen-4-one
SMILESCc1c(-c2ccccc2)oc2c(C(=O)N3Cc4ccccc4C3)cccc2c1=O
InChIInChI=1S/C25H19NO3/c1-16-22(27)20-12-7-13-21(24(20)29-23(16)17-8-3-2-4-9-17)25(28)26-14-18-10-5-6-11-19(18)15-26/h2-13H,14-15H2,1H3
InChIKeySDTOOIPQSRXKBS-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.92
Rot. Bonds2

About 8-(1,3-dihydroisoindole-2-carbonyl)-3-methyl-2-phenylchromen-4-one

8-(1,3-dihydroisoindole-2-carbonyl)-3-methyl-2-phenylchromen-4-one (PubChem CID 166196840) has the molecular formula C25H19NO3 and a molecular weight of 381.43 g/mol. Its IUPAC name is 8-(1,3-dihydroisoindole-2-carbonyl)-3-methyl-2-phenylchromen-4-one.

Molecular Properties

Compound Name8-(1,3-dihydroisoindole-2-carbonyl)-3-methyl-2-phenylchromen-4-one
PubChem CID166196840
Molecular FormulaC25H19NO3
Molecular Weight381.43 g/mol
Exact Mass381.14
IUPAC Name8-(1,3-dihydroisoindole-2-carbonyl)-3-methyl-2-phenylchromen-4-one
SMILESCc1c(-c2ccccc2)oc2c(C(=O)N3Cc4ccccc4C3)cccc2c1=O
InChIInChI=1S/C25H19NO3/c1-16-22(27)20-12-7-13-21(24(20)29-23(16)17-8-3-2-4-9-17)25(28)26-14-18-10-5-6-11-19(18)15-26/h2-13H,14-15H2,1H3
InChIKeySDTOOIPQSRXKBS-UHFFFAOYSA-N
XLogP4.92
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(azepane-1-carbonyl)-3-methyl-2-phenylchromen-4-one
CID 18108125
8-(4-hydroxypiperidine-1-carbonyl)-3-methyl-2-phenylchromen-4-one
CID 78802519
1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)piperidine-4-carboxylic acid
CID 119166358
8-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one
CID 36505981
3-methyl-8-[3-(methylamino)pyrrolidine-1-carbonyl]-2-phenylchromen-4-one
CID 75469313
8-(4-benzylpiperazin-4-ium-1-carbonyl)-3-methyl-2-phenylchromen-4-one
CID 2406363
8-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one
CID 32769378
8-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one
CID 26696208
7-amino-2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 166242478
8-(7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)-3-methyl-2-phenylchromen-4-one
CID 166195760
8-[3-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-2-phenylchromen-4-one
CID 119595081
8-fluoro-4-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 154837714

Frequently Asked Questions

What is the IUPAC name of 8-(1,3-dihydroisoindole-2-carbonyl)-3-methyl-2-phenylchromen-4-one?
The IUPAC name of 8-(1,3-dihydroisoindole-2-carbonyl)-3-methyl-2-phenylchromen-4-one (CID 166196840) is 8-(1,3-dihydroisoindole-2-carbonyl)-3-methyl-2-phenylchromen-4-one.
What is the SMILES notation for 8-(1,3-dihydroisoindole-2-carbonyl)-3-methyl-2-phenylchromen-4-one?
The canonical SMILES for 8-(1,3-dihydroisoindole-2-carbonyl)-3-methyl-2-phenylchromen-4-one is Cc1c(-c2ccccc2)oc2c(C(=O)N3Cc4ccccc4C3)cccc2c1=O.
What is the InChIKey of 8-(1,3-dihydroisoindole-2-carbonyl)-3-methyl-2-phenylchromen-4-one?
The InChIKey is SDTOOIPQSRXKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO3/c1-16-22(27)20-12-7-13-21(24(20)29-23(16)17-8-3-2-4-9-17)25(28)26-14-18-10-5-6-11-19(18)15-26/h2-13H,14-15H2,1H3.
What are the key properties of 8-(1,3-dihydroisoindole-2-carbonyl)-3-methyl-2-phenylchromen-4-one?
8-(1,3-dihydroisoindole-2-carbonyl)-3-methyl-2-phenylchromen-4-one has a molecular weight of 381.43 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,3-dihydroisoindole-2-carbonyl)-3-methyl-2-phenylchromen-4-one is sourced from PubChem (CID 166196840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).