methyl 4-amino-1-(3-aminopropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate

C19H25N5O2 — CID 130289621

IUPACmethyl 4-amino-1-(3-aminopropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate
SMILESCCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCCN
InChIInChI=1S/C19H25N5O2/c1-3-4-6-15-23-16-17(24(15)10-5-9-20)13-8-7-12(19(25)26-2)11-14(13)22-18(16)21/h7-8,11H,3-6,9-10,20H2,1-2H3,(H2,21,22)
InChIKeyQQEFVKIKYNWRHF-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.64
Rot. Bonds7

About methyl 4-amino-1-(3-aminopropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate

methyl 4-amino-1-(3-aminopropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate (PubChem CID 130289621) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is methyl 4-amino-1-(3-aminopropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-(3-aminopropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate
PubChem CID130289621
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Namemethyl 4-amino-1-(3-aminopropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate
SMILESCCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCCN
InChIInChI=1S/C19H25N5O2/c1-3-4-6-15-23-16-17(24(15)10-5-9-20)13-8-7-12(19(25)26-2)11-14(13)22-18(16)21/h7-8,11H,3-6,9-10,20H2,1-2H3,(H2,21,22)
InChIKeyQQEFVKIKYNWRHF-UHFFFAOYSA-N
XLogP2.64
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-(3-aminopropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate?
The IUPAC name of methyl 4-amino-1-(3-aminopropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate (CID 130289621) is methyl 4-amino-1-(3-aminopropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate.
What is the SMILES notation for methyl 4-amino-1-(3-aminopropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate?
The canonical SMILES for methyl 4-amino-1-(3-aminopropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate is CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCCN.
What is the InChIKey of methyl 4-amino-1-(3-aminopropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate?
The InChIKey is QQEFVKIKYNWRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-3-4-6-15-23-16-17(24(15)10-5-9-20)13-8-7-12(19(25)26-2)11-14(13)22-18(16)21/h7-8,11H,3-6,9-10,20H2,1-2H3,(H2,21,22).
What are the key properties of methyl 4-amino-1-(3-aminopropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate?
methyl 4-amino-1-(3-aminopropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate has a molecular weight of 355.44 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-(3-aminopropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate is sourced from PubChem (CID 130289621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).