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

C23H24N2O3 — CID 10547546

IUPAC4-(methoxymethyl)-6-phenylmethoxy-3-propoxy-9H-pyrido[3,4-b]indole
SMILESCCCOc1ncc2[nH]c3ccc(OCc4ccccc4)cc3c2c1COC
InChIInChI=1S/C23H24N2O3/c1-3-11-27-23-19(15-26-2)22-18-12-17(28-14-16-7-5-4-6-8-16)9-10-20(18)25-21(22)13-24-23/h4-10,12-13,25H,3,11,14-15H2,1-2H3
InChIKeyHPGOUPTZNRLISG-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.23
Rot. Bonds8

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

4-(methoxymethyl)-6-phenylmethoxy-3-propoxy-9H-pyrido[3,4-b]indole (PubChem CID 10547546) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-(methoxymethyl)-6-phenylmethoxy-3-propoxy-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name4-(methoxymethyl)-6-phenylmethoxy-3-propoxy-9H-pyrido[3,4-b]indole
PubChem CID10547546
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name4-(methoxymethyl)-6-phenylmethoxy-3-propoxy-9H-pyrido[3,4-b]indole
SMILESCCCOc1ncc2[nH]c3ccc(OCc4ccccc4)cc3c2c1COC
InChIInChI=1S/C23H24N2O3/c1-3-11-27-23-19(15-26-2)22-18-12-17(28-14-16-7-5-4-6-8-16)9-10-20(18)25-21(22)13-24-23/h4-10,12-13,25H,3,11,14-15H2,1-2H3
InChIKeyHPGOUPTZNRLISG-UHFFFAOYSA-N
XLogP5.23
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-6-phenylmethoxy-3-propoxy-9H-pyrido[3,4-b]indole?
The IUPAC name of 4-(methoxymethyl)-6-phenylmethoxy-3-propoxy-9H-pyrido[3,4-b]indole (CID 10547546) is 4-(methoxymethyl)-6-phenylmethoxy-3-propoxy-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 4-(methoxymethyl)-6-phenylmethoxy-3-propoxy-9H-pyrido[3,4-b]indole?
The canonical SMILES for 4-(methoxymethyl)-6-phenylmethoxy-3-propoxy-9H-pyrido[3,4-b]indole is CCCOc1ncc2[nH]c3ccc(OCc4ccccc4)cc3c2c1COC.
What is the InChIKey of 4-(methoxymethyl)-6-phenylmethoxy-3-propoxy-9H-pyrido[3,4-b]indole?
The InChIKey is HPGOUPTZNRLISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-3-11-27-23-19(15-26-2)22-18-12-17(28-14-16-7-5-4-6-8-16)9-10-20(18)25-21(22)13-24-23/h4-10,12-13,25H,3,11,14-15H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-6-phenylmethoxy-3-propoxy-9H-pyrido[3,4-b]indole?
4-(methoxymethyl)-6-phenylmethoxy-3-propoxy-9H-pyrido[3,4-b]indole has a molecular weight of 376.46 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-6-phenylmethoxy-3-propoxy-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 10547546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).