4-(methoxymethyl)-3,6-dipropoxy-9H-pyrido[3,4-b]indole

C19H24N2O3 — CID 10711377

IUPAC4-(methoxymethyl)-3,6-dipropoxy-9H-pyrido[3,4-b]indole
SMILESCCCOc1ccc2[nH]c3cnc(OCCC)c(COC)c3c2c1
InChIInChI=1S/C19H24N2O3/c1-4-8-23-13-6-7-16-14(10-13)18-15(12-22-3)19(24-9-5-2)20-11-17(18)21-16/h6-7,10-11,21H,4-5,8-9,12H2,1-3H3
InChIKeyBTCRVOSPHNKQGJ-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.44
Rot. Bonds8

About 4-(methoxymethyl)-3,6-dipropoxy-9H-pyrido[3,4-b]indole

4-(methoxymethyl)-3,6-dipropoxy-9H-pyrido[3,4-b]indole (PubChem CID 10711377) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-(methoxymethyl)-3,6-dipropoxy-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name4-(methoxymethyl)-3,6-dipropoxy-9H-pyrido[3,4-b]indole
PubChem CID10711377
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name4-(methoxymethyl)-3,6-dipropoxy-9H-pyrido[3,4-b]indole
SMILESCCCOc1ccc2[nH]c3cnc(OCCC)c(COC)c3c2c1
InChIInChI=1S/C19H24N2O3/c1-4-8-23-13-6-7-16-14(10-13)18-15(12-22-3)19(24-9-5-2)20-11-17(18)21-16/h6-7,10-11,21H,4-5,8-9,12H2,1-3H3
InChIKeyBTCRVOSPHNKQGJ-UHFFFAOYSA-N
XLogP4.44
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-3,6-dipropoxy-9H-pyrido[3,4-b]indole?
The IUPAC name of 4-(methoxymethyl)-3,6-dipropoxy-9H-pyrido[3,4-b]indole (CID 10711377) is 4-(methoxymethyl)-3,6-dipropoxy-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 4-(methoxymethyl)-3,6-dipropoxy-9H-pyrido[3,4-b]indole?
The canonical SMILES for 4-(methoxymethyl)-3,6-dipropoxy-9H-pyrido[3,4-b]indole is CCCOc1ccc2[nH]c3cnc(OCCC)c(COC)c3c2c1.
What is the InChIKey of 4-(methoxymethyl)-3,6-dipropoxy-9H-pyrido[3,4-b]indole?
The InChIKey is BTCRVOSPHNKQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-4-8-23-13-6-7-16-14(10-13)18-15(12-22-3)19(24-9-5-2)20-11-17(18)21-16/h6-7,10-11,21H,4-5,8-9,12H2,1-3H3.
What are the key properties of 4-(methoxymethyl)-3,6-dipropoxy-9H-pyrido[3,4-b]indole?
4-(methoxymethyl)-3,6-dipropoxy-9H-pyrido[3,4-b]indole has a molecular weight of 328.41 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-3,6-dipropoxy-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 10711377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).