4-[(4-amino-2-butyl-7-methoxycarbonylimidazo[4,5-c]quinolin-1-yl)methyl]benzoic acid

C24H24N4O4 — CID 130289680

IUPAC4-[(4-amino-2-butyl-7-methoxycarbonylimidazo[4,5-c]quinolin-1-yl)methyl]benzoic acid
SMILESCCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C24H24N4O4/c1-3-4-5-19-27-20-21(28(19)13-14-6-8-15(9-7-14)23(29)30)17-11-10-16(24(31)32-2)12-18(17)26-22(20)25/h6-12H,3-5,13H2,1-2H3,(H2,25,26)(H,29,30)
InChIKeyLNTLZBSXDZBHJO-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.04
Rot. Bonds7

About 4-[(4-amino-2-butyl-7-methoxycarbonylimidazo[4,5-c]quinolin-1-yl)methyl]benzoic acid

4-[(4-amino-2-butyl-7-methoxycarbonylimidazo[4,5-c]quinolin-1-yl)methyl]benzoic acid (PubChem CID 130289680) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 4-[(4-amino-2-butyl-7-methoxycarbonylimidazo[4,5-c]quinolin-1-yl)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(4-amino-2-butyl-7-methoxycarbonylimidazo[4,5-c]quinolin-1-yl)methyl]benzoic acid
PubChem CID130289680
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name4-[(4-amino-2-butyl-7-methoxycarbonylimidazo[4,5-c]quinolin-1-yl)methyl]benzoic acid
SMILESCCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C24H24N4O4/c1-3-4-5-19-27-20-21(28(19)13-14-6-8-15(9-7-14)23(29)30)17-11-10-16(24(31)32-2)12-18(17)26-22(20)25/h6-12H,3-5,13H2,1-2H3,(H2,25,26)(H,29,30)
InChIKeyLNTLZBSXDZBHJO-UHFFFAOYSA-N
XLogP4.04
TPSA120.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-2-butyl-7-methoxycarbonylimidazo[4,5-c]quinolin-1-yl)methyl]benzoic acid?
The IUPAC name of 4-[(4-amino-2-butyl-7-methoxycarbonylimidazo[4,5-c]quinolin-1-yl)methyl]benzoic acid (CID 130289680) is 4-[(4-amino-2-butyl-7-methoxycarbonylimidazo[4,5-c]quinolin-1-yl)methyl]benzoic acid.
What is the SMILES notation for 4-[(4-amino-2-butyl-7-methoxycarbonylimidazo[4,5-c]quinolin-1-yl)methyl]benzoic acid?
The canonical SMILES for 4-[(4-amino-2-butyl-7-methoxycarbonylimidazo[4,5-c]quinolin-1-yl)methyl]benzoic acid is CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(4-amino-2-butyl-7-methoxycarbonylimidazo[4,5-c]quinolin-1-yl)methyl]benzoic acid?
The InChIKey is LNTLZBSXDZBHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-3-4-5-19-27-20-21(28(19)13-14-6-8-15(9-7-14)23(29)30)17-11-10-16(24(31)32-2)12-18(17)26-22(20)25/h6-12H,3-5,13H2,1-2H3,(H2,25,26)(H,29,30).
What are the key properties of 4-[(4-amino-2-butyl-7-methoxycarbonylimidazo[4,5-c]quinolin-1-yl)methyl]benzoic acid?
4-[(4-amino-2-butyl-7-methoxycarbonylimidazo[4,5-c]quinolin-1-yl)methyl]benzoic acid has a molecular weight of 432.48 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-2-butyl-7-methoxycarbonylimidazo[4,5-c]quinolin-1-yl)methyl]benzoic acid is sourced from PubChem (CID 130289680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).