1-methyl-3-[3-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinoxalin-2-one

C30H33N5O3 — CID 3874882

IUPAC1-methyl-3-[3-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinoxalin-2-one
SMILESCn1c(C(=O)N2CCC3(CCN(C(=O)CCc4nc5ccccc5n(C)c4=O)C3)CC2)cc2ccccc21
InChIInChI=1S/C30H33N5O3/c1-32-24-9-5-3-7-21(24)19-26(32)29(38)34-16-13-30(14-17-34)15-18-35(20-30)27(36)12-11-23-28(37)33(2)25-10-6-4-8-22(25)31-23/h3-10,19H,11-18,20H2,1-2H3
InChIKeyXEZACRPROCWNKK-UHFFFAOYSA-N
MW511.63 g/mol
LogP3.51
Rot. Bonds4

About 1-methyl-3-[3-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinoxalin-2-one

1-methyl-3-[3-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinoxalin-2-one (PubChem CID 3874882) has the molecular formula C30H33N5O3 and a molecular weight of 511.63 g/mol. Its IUPAC name is 1-methyl-3-[3-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-methyl-3-[3-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinoxalin-2-one
PubChem CID3874882
Molecular FormulaC30H33N5O3
Molecular Weight511.63 g/mol
Exact Mass511.26
IUPAC Name1-methyl-3-[3-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinoxalin-2-one
SMILESCn1c(C(=O)N2CCC3(CCN(C(=O)CCc4nc5ccccc5n(C)c4=O)C3)CC2)cc2ccccc21
InChIInChI=1S/C30H33N5O3/c1-32-24-9-5-3-7-21(24)19-26(32)29(38)34-16-13-30(14-17-34)15-18-35(20-30)27(36)12-11-23-28(37)33(2)25-10-6-4-8-22(25)31-23/h3-10,19H,11-18,20H2,1-2H3
InChIKeyXEZACRPROCWNKK-UHFFFAOYSA-N
XLogP3.51
TPSA80.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.63
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2S)-2-acetamido-4-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-4-oxobutanoate
CID 74229279
1-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylethanone
CID 3857731
4-methyl-7-[2-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethoxy]chromen-2-one
CID 3630582
(Z)-3-(furan-2-yl)-N-[2-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide
CID 74227630
(1-methylindol-2-yl)-[2-(4-methylsulfonylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 5174174
3-methyl-1-(1-methylindole-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 119256327
3-(benzotriazol-1-yl)-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one
CID 50961924
(1-methylindol-2-yl)-[2-(4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 3411368
N-[4-methyl-5-[[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide
CID 3831876
N-[7-(1-methylindole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide
CID 131691818
(1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 29139344
methyl 2-[3-(4-methyl-3-oxoquinoxalin-2-yl)propanoylamino]acetate
CID 71704250

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinoxalin-2-one?
The IUPAC name of 1-methyl-3-[3-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinoxalin-2-one (CID 3874882) is 1-methyl-3-[3-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinoxalin-2-one.
What is the SMILES notation for 1-methyl-3-[3-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinoxalin-2-one?
The canonical SMILES for 1-methyl-3-[3-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinoxalin-2-one is Cn1c(C(=O)N2CCC3(CCN(C(=O)CCc4nc5ccccc5n(C)c4=O)C3)CC2)cc2ccccc21.
What is the InChIKey of 1-methyl-3-[3-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinoxalin-2-one?
The InChIKey is XEZACRPROCWNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O3/c1-32-24-9-5-3-7-21(24)19-26(32)29(38)34-16-13-30(14-17-34)15-18-35(20-30)27(36)12-11-23-28(37)33(2)25-10-6-4-8-22(25)31-23/h3-10,19H,11-18,20H2,1-2H3.
What are the key properties of 1-methyl-3-[3-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinoxalin-2-one?
1-methyl-3-[3-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinoxalin-2-one has a molecular weight of 511.63 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinoxalin-2-one is sourced from PubChem (CID 3874882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).