1-butyl-6-methoxy-2,3-dipropylpyrrolo[3,2-c]quinoline

C22H30N2O — CID 11056884

IUPAC1-butyl-6-methoxy-2,3-dipropylpyrrolo[3,2-c]quinoline
SMILESCCCCn1c(CCC)c(CCC)c2cnc3c(OC)cccc3c21
InChIInChI=1S/C22H30N2O/c1-5-8-14-24-19(11-7-3)16(10-6-2)18-15-23-21-17(22(18)24)12-9-13-20(21)25-4/h9,12-13,15H,5-8,10-11,14H2,1-4H3
InChIKeyLXXHYEZTVGXFJU-UHFFFAOYSA-N
MW338.50 g/mol
LogP5.90
Rot. Bonds8

About 1-butyl-6-methoxy-2,3-dipropylpyrrolo[3,2-c]quinoline

1-butyl-6-methoxy-2,3-dipropylpyrrolo[3,2-c]quinoline (PubChem CID 11056884) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 1-butyl-6-methoxy-2,3-dipropylpyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name1-butyl-6-methoxy-2,3-dipropylpyrrolo[3,2-c]quinoline
PubChem CID11056884
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name1-butyl-6-methoxy-2,3-dipropylpyrrolo[3,2-c]quinoline
SMILESCCCCn1c(CCC)c(CCC)c2cnc3c(OC)cccc3c21
InChIInChI=1S/C22H30N2O/c1-5-8-14-24-19(11-7-3)16(10-6-2)18-15-23-21-17(22(18)24)12-9-13-20(21)25-4/h9,12-13,15H,5-8,10-11,14H2,1-4H3
InChIKeyLXXHYEZTVGXFJU-UHFFFAOYSA-N
XLogP5.90
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.50
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[6-methoxy-1-[(4-methoxyphenyl)methyl]-3-methylpyrrolo[3,2-c]quinolin-2-yl]-trimethylsilane
CID 15420060
3-ethyl-7-methoxy-1-pentan-3-ylpyrimido[5,4-c]quinoline-2,4-dione
CID 58329382
4-[3-(4-heptylpiperazin-1-yl)propyl]-8-methoxyquinoline
CID 67551289
3-methoxy-2-propylphenol
CID 10607156
[6-methoxy-1-(2-methylphenyl)-2-trimethylsilylpyrrolo[3,2-c]quinolin-3-yl]methanol
CID 100966751
2-butyl-1,3-dimethoxybenzene
CID 524840
3-methoxy-2-propylaniline
CID 70555018
1-(1-butyl-2-chloro-7-methoxyindol-3-yl)ethanone
CID 82269414
1-benzyl-6-methoxy-2-phenylpyrrolo[3,2-c]quinoline
CID 134961907
1-butyl-2-methyl-7-(2-methyl-3-pyridinyl)-3-propylindole
CID 123802736
1-cyclopentyl-7-methoxy-3-propyl-2,4-dihydropyrimido[5,4-c]quinoline
CID 141240338
1-(4-fluorophenyl)-6-methoxy-3-phenylpyrazolo[4,3-c]quinoline
CID 20953337

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-methoxy-2,3-dipropylpyrrolo[3,2-c]quinoline?
The IUPAC name of 1-butyl-6-methoxy-2,3-dipropylpyrrolo[3,2-c]quinoline (CID 11056884) is 1-butyl-6-methoxy-2,3-dipropylpyrrolo[3,2-c]quinoline.
What is the SMILES notation for 1-butyl-6-methoxy-2,3-dipropylpyrrolo[3,2-c]quinoline?
The canonical SMILES for 1-butyl-6-methoxy-2,3-dipropylpyrrolo[3,2-c]quinoline is CCCCn1c(CCC)c(CCC)c2cnc3c(OC)cccc3c21.
What is the InChIKey of 1-butyl-6-methoxy-2,3-dipropylpyrrolo[3,2-c]quinoline?
The InChIKey is LXXHYEZTVGXFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-5-8-14-24-19(11-7-3)16(10-6-2)18-15-23-21-17(22(18)24)12-9-13-20(21)25-4/h9,12-13,15H,5-8,10-11,14H2,1-4H3.
What are the key properties of 1-butyl-6-methoxy-2,3-dipropylpyrrolo[3,2-c]quinoline?
1-butyl-6-methoxy-2,3-dipropylpyrrolo[3,2-c]quinoline has a molecular weight of 338.50 g/mol, XLogP of 5.90, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-methoxy-2,3-dipropylpyrrolo[3,2-c]quinoline is sourced from PubChem (CID 11056884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).