4-methyl-6-(oxan-4-yl)-3-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyran-2-one

C23H24N2O4 — CID 170507014

IUPAC4-methyl-6-(oxan-4-yl)-3-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyran-2-one
SMILESCc1cc(C2CCOCC2)oc(=O)c1C(=O)N1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C23H24N2O4/c1-14-12-20(15-7-10-28-11-8-15)29-23(27)21(14)22(26)25-9-6-19-17(13-25)16-4-2-3-5-18(16)24-19/h2-5,12,15,24H,6-11,13H2,1H3
InChIKeyMOHZVCIIIJDSNI-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.52
Rot. Bonds2

About 4-methyl-6-(oxan-4-yl)-3-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyran-2-one

4-methyl-6-(oxan-4-yl)-3-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyran-2-one (PubChem CID 170507014) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-methyl-6-(oxan-4-yl)-3-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyran-2-one.

Molecular Properties

Compound Name4-methyl-6-(oxan-4-yl)-3-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyran-2-one
PubChem CID170507014
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name4-methyl-6-(oxan-4-yl)-3-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyran-2-one
SMILESCc1cc(C2CCOCC2)oc(=O)c1C(=O)N1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C23H24N2O4/c1-14-12-20(15-7-10-28-11-8-15)29-23(27)21(14)22(26)25-9-6-19-17(13-25)16-4-2-3-5-18(16)24-19/h2-5,12,15,24H,6-11,13H2,1H3
InChIKeyMOHZVCIIIJDSNI-UHFFFAOYSA-N
XLogP3.52
TPSA75.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

morpholin-4-yl(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 34675984
1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl-(2,4,6-trifluorophenyl)methanone
CID 141122655
2-[[(3R)-oxolan-3-yl]methoxy]-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CID 95349103
3-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one
CID 170506177
4-methyl-6-(oxan-4-yl)-3-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyran-2-one
CID 170511443
6-cyclobutyl-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-4-methylpyran-2-one
CID 170506178
(5-bromofuran-2-yl)-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 42535435
1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl-(3,4,5-trifluorophenyl)methanone
CID 141122656
6-cyclobutyl-4-methyl-3-(3-phenylpiperazine-1-carbonyl)pyran-2-one
CID 170511586
3-(3-chloro-4-methylphenyl)-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)propan-1-one
CID 24638024
(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 55766684
3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-(oxolan-3-yl)pyran-2-one
CID 170509110

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(oxan-4-yl)-3-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyran-2-one?
The IUPAC name of 4-methyl-6-(oxan-4-yl)-3-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyran-2-one (CID 170507014) is 4-methyl-6-(oxan-4-yl)-3-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyran-2-one.
What is the SMILES notation for 4-methyl-6-(oxan-4-yl)-3-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyran-2-one?
The canonical SMILES for 4-methyl-6-(oxan-4-yl)-3-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyran-2-one is Cc1cc(C2CCOCC2)oc(=O)c1C(=O)N1CCc2[nH]c3ccccc3c2C1.
What is the InChIKey of 4-methyl-6-(oxan-4-yl)-3-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyran-2-one?
The InChIKey is MOHZVCIIIJDSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-14-12-20(15-7-10-28-11-8-15)29-23(27)21(14)22(26)25-9-6-19-17(13-25)16-4-2-3-5-18(16)24-19/h2-5,12,15,24H,6-11,13H2,1H3.
What are the key properties of 4-methyl-6-(oxan-4-yl)-3-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyran-2-one?
4-methyl-6-(oxan-4-yl)-3-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyran-2-one has a molecular weight of 392.46 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(oxan-4-yl)-3-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyran-2-one is sourced from PubChem (CID 170507014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).