butanedioic acid;5-methoxy-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

C19H24N2O5 — CID 3066249

IUPACbutanedioic acid;5-methoxy-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
SMILESCOc1ccc2[nH]c(C)c(C3=CCNCC3)c2c1.O=C(O)CCC(=O)O
InChIInChI=1S/C15H18N2O.C4H6O4/c1-10-15(11-5-7-16-8-6-11)13-9-12(18-2)3-4-14(13)17-10;5-3(6)1-2-4(7)8/h3-5,9,16-17H,6-8H2,1-2H3;1-2H2,(H,5,6)(H,7,8)
InChIKeyPCDWSGVXWRCHOV-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.80
Rot. Bonds5

About butanedioic acid;5-methoxy-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

butanedioic acid;5-methoxy-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole (PubChem CID 3066249) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is butanedioic acid;5-methoxy-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole.

Molecular Properties

Compound Namebutanedioic acid;5-methoxy-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
PubChem CID3066249
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Namebutanedioic acid;5-methoxy-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
SMILESCOc1ccc2[nH]c(C)c(C3=CCNCC3)c2c1.O=C(O)CCC(=O)O
InChIInChI=1S/C15H18N2O.C4H6O4/c1-10-15(11-5-7-16-8-6-11)13-9-12(18-2)3-4-14(13)17-10;5-3(6)1-2-4(7)8/h3-5,9,16-17H,6-8H2,1-2H3;1-2H2,(H,5,6)(H,7,8)
InChIKeyPCDWSGVXWRCHOV-UHFFFAOYSA-N
XLogP2.80
TPSA111.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl] trifluoromethanesulfonate
CID 73351903
1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 604823
5-methoxy-2-methyl-3-phenyl-1H-indole
CID 11564934
3-acetyl-6-methoxy-2-methyl-1H-quinolin-4-one
CID 139937848
5-(5-methoxy-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 136986316
5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 6919949
methyl 5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 76852322
5-(5-methoxy-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid
CID 136986331
2-(5-methoxy-2-methyl-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione
CID 175479256
1-(4-acetylpiperazin-1-yl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 113212099
2-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]acetic acid
CID 7038452
(Z)-3-hydroxy-1-(7-methoxy-2,4-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)-2-methylbut-2-en-1-one
CID 54751084

Frequently Asked Questions

What is the IUPAC name of butanedioic acid;5-methoxy-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The IUPAC name of butanedioic acid;5-methoxy-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole (CID 3066249) is butanedioic acid;5-methoxy-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole.
What is the SMILES notation for butanedioic acid;5-methoxy-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The canonical SMILES for butanedioic acid;5-methoxy-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole is COc1ccc2[nH]c(C)c(C3=CCNCC3)c2c1.O=C(O)CCC(=O)O.
What is the InChIKey of butanedioic acid;5-methoxy-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The InChIKey is PCDWSGVXWRCHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O.C4H6O4/c1-10-15(11-5-7-16-8-6-11)13-9-12(18-2)3-4-14(13)17-10;5-3(6)1-2-4(7)8/h3-5,9,16-17H,6-8H2,1-2H3;1-2H2,(H,5,6)(H,7,8).
What are the key properties of butanedioic acid;5-methoxy-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
butanedioic acid;5-methoxy-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole has a molecular weight of 360.41 g/mol, XLogP of 2.80, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;5-methoxy-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole is sourced from PubChem (CID 3066249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).