4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanoic acid;hydrochloride

C17H19ClN2O3 — CID 155550070

IUPAC4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanoic acid;hydrochloride
SMILESCOc1ccc2c3ccnc(C)c3n(CCCC(=O)O)c2c1.Cl
InChIInChI=1S/C17H18N2O3.ClH/c1-11-17-14(7-8-18-11)13-6-5-12(22-2)10-15(13)19(17)9-3-4-16(20)21;/h5-8,10H,3-4,9H2,1-2H3,(H,20,21);1H
InChIKeyUIEXRNRVTDHPCG-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.79
Rot. Bonds5

About 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanoic acid;hydrochloride

4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanoic acid;hydrochloride (PubChem CID 155550070) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanoic acid;hydrochloride.

Molecular Properties

Compound Name4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanoic acid;hydrochloride
PubChem CID155550070
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanoic acid;hydrochloride
SMILESCOc1ccc2c3ccnc(C)c3n(CCCC(=O)O)c2c1.Cl
InChIInChI=1S/C17H18N2O3.ClH/c1-11-17-14(7-8-18-11)13-6-5-12(22-2)10-15(13)19(17)9-3-4-16(20)21;/h5-8,10H,3-4,9H2,1-2H3,(H,20,21);1H
InChIKeyUIEXRNRVTDHPCG-UHFFFAOYSA-N
XLogP3.79
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Harmine
CID 5280953
Harmine Hydrochloride
CID 5359389
9-Methoxy-6H-indolo(3,2,1-de)(1,5)naphthyridin-6-one
CID 9881423
7-methoxy-9H-pyrido(3,4-b)indole
CID 9815570
[2-(6-Methoxy-indol-1-yl)-ethyl]-dimethyl-amine
CID 44287445
4-(7-Methoxy-1-(Trifluoromethyl)-9h-Pyrido[3,4-B]indol-9-Yl)butan-1-Amine
CID 54613080
3-[5-Cyclopropyl-3-(3-Methoxypyridin-4-Yl)-2-Phenyl-1h-Indol-1-Yl]propanoic Acid
CID 72722031
4-(7-methoxy-1-methyl-9H-beta-carbolin-9-yl)butanamide
CID 139520309
3-Methoxypyrido[1,2-a]indole-10-carbonitrile
CID 1488983
N-butylharmine
CID 486624
Hydroxy-harmine
CID 129762063
(1-Chloro-7-Methoxy-9h-Beta-Carbolin-9-Yl)acetonitrile
CID 91664024

Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanoic acid;hydrochloride?
The IUPAC name of 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanoic acid;hydrochloride (CID 155550070) is 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanoic acid;hydrochloride.
What is the SMILES notation for 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanoic acid;hydrochloride?
The canonical SMILES for 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanoic acid;hydrochloride is COc1ccc2c3ccnc(C)c3n(CCCC(=O)O)c2c1.Cl.
What is the InChIKey of 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanoic acid;hydrochloride?
The InChIKey is UIEXRNRVTDHPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3.ClH/c1-11-17-14(7-8-18-11)13-6-5-12(22-2)10-15(13)19(17)9-3-4-16(20)21;/h5-8,10H,3-4,9H2,1-2H3,(H,20,21);1H.
What are the key properties of 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanoic acid;hydrochloride?
4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanoic acid;hydrochloride has a molecular weight of 334.80 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanoic acid;hydrochloride is sourced from PubChem (CID 155550070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).