6-butan-2-yl-1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]imidazo[4,5-c]quinolin-4-amine

C21H28N4O2 — CID 68933139

IUPAC6-butan-2-yl-1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCC(C)c1cccc2c1nc(N)c1ncn(CCCC3(C)OCCO3)c12
InChIInChI=1S/C21H28N4O2/c1-4-14(2)15-7-5-8-16-17(15)24-20(22)18-19(16)25(13-23-18)10-6-9-21(3)26-11-12-27-21/h5,7-8,13-14H,4,6,9-12H2,1-3H3,(H2,22,24)
InChIKeyJACWQJICBMPKTI-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.22
Rot. Bonds6

About 6-butan-2-yl-1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]imidazo[4,5-c]quinolin-4-amine

6-butan-2-yl-1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 68933139) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 6-butan-2-yl-1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name6-butan-2-yl-1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]imidazo[4,5-c]quinolin-4-amine
PubChem CID68933139
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name6-butan-2-yl-1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCC(C)c1cccc2c1nc(N)c1ncn(CCCC3(C)OCCO3)c12
InChIInChI=1S/C21H28N4O2/c1-4-14(2)15-7-5-8-16-17(15)24-20(22)18-19(16)25(13-23-18)10-6-9-21(3)26-11-12-27-21/h5,7-8,13-14H,4,6,9-12H2,1-3H3,(H2,22,24)
InChIKeyJACWQJICBMPKTI-UHFFFAOYSA-N
XLogP4.22
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 6-butan-2-yl-1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]imidazo[4,5-c]quinolin-4-amine (CID 68933139) is 6-butan-2-yl-1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 6-butan-2-yl-1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 6-butan-2-yl-1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]imidazo[4,5-c]quinolin-4-amine is CCC(C)c1cccc2c1nc(N)c1ncn(CCCC3(C)OCCO3)c12.
What is the InChIKey of 6-butan-2-yl-1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is JACWQJICBMPKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-4-14(2)15-7-5-8-16-17(15)24-20(22)18-19(16)25(13-23-18)10-6-9-21(3)26-11-12-27-21/h5,7-8,13-14H,4,6,9-12H2,1-3H3,(H2,22,24).
What are the key properties of 6-butan-2-yl-1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]imidazo[4,5-c]quinolin-4-amine?
6-butan-2-yl-1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 368.48 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 68933139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).