3-methyl-8-[3-(methylamino)pyrrolidine-1-carbonyl]-2-phenylchromen-4-one

C22H22N2O3 — CID 75469313

IUPAC3-methyl-8-[3-(methylamino)pyrrolidine-1-carbonyl]-2-phenylchromen-4-one
SMILESCNC1CCN(C(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)C1
InChIInChI=1S/C22H22N2O3/c1-14-19(25)17-9-6-10-18(22(26)24-12-11-16(13-24)23-2)21(17)27-20(14)15-7-4-3-5-8-15/h3-10,16,23H,11-13H2,1-2H3
InChIKeyYOHOCUNDOJXSCZ-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.20
Rot. Bonds3

About 3-methyl-8-[3-(methylamino)pyrrolidine-1-carbonyl]-2-phenylchromen-4-one

3-methyl-8-[3-(methylamino)pyrrolidine-1-carbonyl]-2-phenylchromen-4-one (PubChem CID 75469313) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-methyl-8-[3-(methylamino)pyrrolidine-1-carbonyl]-2-phenylchromen-4-one.

Molecular Properties

Compound Name3-methyl-8-[3-(methylamino)pyrrolidine-1-carbonyl]-2-phenylchromen-4-one
PubChem CID75469313
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name3-methyl-8-[3-(methylamino)pyrrolidine-1-carbonyl]-2-phenylchromen-4-one
SMILESCNC1CCN(C(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)C1
InChIInChI=1S/C22H22N2O3/c1-14-19(25)17-9-6-10-18(22(26)24-12-11-16(13-24)23-2)21(17)27-20(14)15-7-4-3-5-8-15/h3-10,16,23H,11-13H2,1-2H3
InChIKeyYOHOCUNDOJXSCZ-UHFFFAOYSA-N
XLogP3.20
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[3-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-2-phenylchromen-4-one
CID 119595081
8-(azepane-1-carbonyl)-3-methyl-2-phenylchromen-4-one
CID 18108125
8-(1,3-dihydroisoindole-2-carbonyl)-3-methyl-2-phenylchromen-4-one
CID 166196840
8-(7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)-3-methyl-2-phenylchromen-4-one
CID 166195760
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
tert-butyl 4-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]piperidine-1-carboxylate
CID 60560484
1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55811024
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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[3-(methylamino)pyrrolidine-1-carbonyl]-2-phenylchromen-4-one?
The IUPAC name of 3-methyl-8-[3-(methylamino)pyrrolidine-1-carbonyl]-2-phenylchromen-4-one (CID 75469313) is 3-methyl-8-[3-(methylamino)pyrrolidine-1-carbonyl]-2-phenylchromen-4-one.
What is the SMILES notation for 3-methyl-8-[3-(methylamino)pyrrolidine-1-carbonyl]-2-phenylchromen-4-one?
The canonical SMILES for 3-methyl-8-[3-(methylamino)pyrrolidine-1-carbonyl]-2-phenylchromen-4-one is CNC1CCN(C(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)C1.
What is the InChIKey of 3-methyl-8-[3-(methylamino)pyrrolidine-1-carbonyl]-2-phenylchromen-4-one?
The InChIKey is YOHOCUNDOJXSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-14-19(25)17-9-6-10-18(22(26)24-12-11-16(13-24)23-2)21(17)27-20(14)15-7-4-3-5-8-15/h3-10,16,23H,11-13H2,1-2H3.
What are the key properties of 3-methyl-8-[3-(methylamino)pyrrolidine-1-carbonyl]-2-phenylchromen-4-one?
3-methyl-8-[3-(methylamino)pyrrolidine-1-carbonyl]-2-phenylchromen-4-one has a molecular weight of 362.43 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[3-(methylamino)pyrrolidine-1-carbonyl]-2-phenylchromen-4-one is sourced from PubChem (CID 75469313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).