7-bromo-1-[(4-methoxyphenyl)methyl]-2-(oxolan-2-ylmethyl)pyrrolo[3,2-c]quinoline

C24H23BrN2O2 — CID 155679597

IUPAC7-bromo-1-[(4-methoxyphenyl)methyl]-2-(oxolan-2-ylmethyl)pyrrolo[3,2-c]quinoline
SMILESCOc1ccc(Cn2c(CC3CCCO3)cc3cnc4cc(Br)ccc4c32)cc1
InChIInChI=1S/C24H23BrN2O2/c1-28-20-7-4-16(5-8-20)15-27-19(13-21-3-2-10-29-21)11-17-14-26-23-12-18(25)6-9-22(23)24(17)27/h4-9,11-12,14,21H,2-3,10,13,15H2,1H3
InChIKeyPBXXUNJFEZBDNN-UHFFFAOYSA-N
MW451.36 g/mol
LogP5.73
Rot. Bonds5

About 7-bromo-1-[(4-methoxyphenyl)methyl]-2-(oxolan-2-ylmethyl)pyrrolo[3,2-c]quinoline

7-bromo-1-[(4-methoxyphenyl)methyl]-2-(oxolan-2-ylmethyl)pyrrolo[3,2-c]quinoline (PubChem CID 155679597) has the molecular formula C24H23BrN2O2 and a molecular weight of 451.36 g/mol. Its IUPAC name is 7-bromo-1-[(4-methoxyphenyl)methyl]-2-(oxolan-2-ylmethyl)pyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name7-bromo-1-[(4-methoxyphenyl)methyl]-2-(oxolan-2-ylmethyl)pyrrolo[3,2-c]quinoline
PubChem CID155679597
Molecular FormulaC24H23BrN2O2
Molecular Weight451.36 g/mol
Exact Mass450.09
IUPAC Name7-bromo-1-[(4-methoxyphenyl)methyl]-2-(oxolan-2-ylmethyl)pyrrolo[3,2-c]quinoline
SMILESCOc1ccc(Cn2c(CC3CCCO3)cc3cnc4cc(Br)ccc4c32)cc1
InChIInChI=1S/C24H23BrN2O2/c1-28-20-7-4-16(5-8-20)15-27-19(13-21-3-2-10-29-21)11-17-14-26-23-12-18(25)6-9-22(23)24(17)27/h4-9,11-12,14,21H,2-3,10,13,15H2,1H3
InChIKeyPBXXUNJFEZBDNN-UHFFFAOYSA-N
XLogP5.73
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.36
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-[(4-methoxyphenyl)methyl]-2-(oxolan-2-ylmethyl)pyrrolo[3,2-c]quinoline?
The IUPAC name of 7-bromo-1-[(4-methoxyphenyl)methyl]-2-(oxolan-2-ylmethyl)pyrrolo[3,2-c]quinoline (CID 155679597) is 7-bromo-1-[(4-methoxyphenyl)methyl]-2-(oxolan-2-ylmethyl)pyrrolo[3,2-c]quinoline.
What is the SMILES notation for 7-bromo-1-[(4-methoxyphenyl)methyl]-2-(oxolan-2-ylmethyl)pyrrolo[3,2-c]quinoline?
The canonical SMILES for 7-bromo-1-[(4-methoxyphenyl)methyl]-2-(oxolan-2-ylmethyl)pyrrolo[3,2-c]quinoline is COc1ccc(Cn2c(CC3CCCO3)cc3cnc4cc(Br)ccc4c32)cc1.
What is the InChIKey of 7-bromo-1-[(4-methoxyphenyl)methyl]-2-(oxolan-2-ylmethyl)pyrrolo[3,2-c]quinoline?
The InChIKey is PBXXUNJFEZBDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O2/c1-28-20-7-4-16(5-8-20)15-27-19(13-21-3-2-10-29-21)11-17-14-26-23-12-18(25)6-9-22(23)24(17)27/h4-9,11-12,14,21H,2-3,10,13,15H2,1H3.
What are the key properties of 7-bromo-1-[(4-methoxyphenyl)methyl]-2-(oxolan-2-ylmethyl)pyrrolo[3,2-c]quinoline?
7-bromo-1-[(4-methoxyphenyl)methyl]-2-(oxolan-2-ylmethyl)pyrrolo[3,2-c]quinoline has a molecular weight of 451.36 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-[(4-methoxyphenyl)methyl]-2-(oxolan-2-ylmethyl)pyrrolo[3,2-c]quinoline is sourced from PubChem (CID 155679597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).