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

C19H24N2O5 — CID 3055248

IUPACbutanedioic acid;5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
SMILESCOc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1.O=C(O)CCC(=O)O
InChIInChI=1S/C15H18N2O.C4H6O4/c1-17-7-5-11(6-8-17)14-10-16-15-4-3-12(18-2)9-13(14)15;5-3(6)1-2-4(7)8/h3-5,9-10,16H,6-8H2,1-2H3;1-2H2,(H,5,6)(H,7,8)
InChIKeyBPYPQRDXENNRHJ-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.83
Rot. Bonds5

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

butanedioic acid;5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole (PubChem CID 3055248) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is butanedioic acid;5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole.

Molecular Properties

Compound Namebutanedioic acid;5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
PubChem CID3055248
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Namebutanedioic acid;5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
SMILESCOc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1.O=C(O)CCC(=O)O
InChIInChI=1S/C15H18N2O.C4H6O4/c1-17-7-5-11(6-8-17)14-10-16-15-4-3-12(18-2)9-13(14)15;5-3(6)1-2-4(7)8/h3-5,9-10,16H,6-8H2,1-2H3;1-2H2,(H,5,6)(H,7,8)
InChIKeyBPYPQRDXENNRHJ-UHFFFAOYSA-N
XLogP2.83
TPSA102.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of butanedioic acid;5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The IUPAC name of butanedioic acid;5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole (CID 3055248) is butanedioic acid;5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole.
What is the SMILES notation for butanedioic acid;5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The canonical SMILES for butanedioic acid;5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole is COc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1.O=C(O)CCC(=O)O.
What is the InChIKey of butanedioic acid;5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The InChIKey is BPYPQRDXENNRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O.C4H6O4/c1-17-7-5-11(6-8-17)14-10-16-15-4-3-12(18-2)9-13(14)15;5-3(6)1-2-4(7)8/h3-5,9-10,16H,6-8H2,1-2H3;1-2H2,(H,5,6)(H,7,8).
What are the key properties of butanedioic acid;5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
butanedioic acid;5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole has a molecular weight of 360.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole is sourced from PubChem (CID 3055248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).