methyl 4-amino-2-butyl-1-(2-methoxy-2-oxoethyl)imidazo[4,5-c]quinoline-7-carboxylate

C19H22N4O4 — CID 130289832

IUPACmethyl 4-amino-2-butyl-1-(2-methoxy-2-oxoethyl)imidazo[4,5-c]quinoline-7-carboxylate
SMILESCCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CC(=O)OC
InChIInChI=1S/C19H22N4O4/c1-4-5-6-14-22-16-17(23(14)10-15(24)26-2)12-8-7-11(19(25)27-3)9-13(12)21-18(16)20/h7-9H,4-6,10H2,1-3H3,(H2,20,21)
InChIKeyREOYIWOYPMJBTH-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.47
Rot. Bonds6

About methyl 4-amino-2-butyl-1-(2-methoxy-2-oxoethyl)imidazo[4,5-c]quinoline-7-carboxylate

methyl 4-amino-2-butyl-1-(2-methoxy-2-oxoethyl)imidazo[4,5-c]quinoline-7-carboxylate (PubChem CID 130289832) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is methyl 4-amino-2-butyl-1-(2-methoxy-2-oxoethyl)imidazo[4,5-c]quinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2-butyl-1-(2-methoxy-2-oxoethyl)imidazo[4,5-c]quinoline-7-carboxylate
PubChem CID130289832
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Namemethyl 4-amino-2-butyl-1-(2-methoxy-2-oxoethyl)imidazo[4,5-c]quinoline-7-carboxylate
SMILESCCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CC(=O)OC
InChIInChI=1S/C19H22N4O4/c1-4-5-6-14-22-16-17(23(14)10-15(24)26-2)12-8-7-11(19(25)27-3)9-13(12)21-18(16)20/h7-9H,4-6,10H2,1-3H3,(H2,20,21)
InChIKeyREOYIWOYPMJBTH-UHFFFAOYSA-N
XLogP2.47
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-butyl-1-(2-methoxy-2-oxoethyl)imidazo[4,5-c]quinoline-7-carboxylate?
The IUPAC name of methyl 4-amino-2-butyl-1-(2-methoxy-2-oxoethyl)imidazo[4,5-c]quinoline-7-carboxylate (CID 130289832) is methyl 4-amino-2-butyl-1-(2-methoxy-2-oxoethyl)imidazo[4,5-c]quinoline-7-carboxylate.
What is the SMILES notation for methyl 4-amino-2-butyl-1-(2-methoxy-2-oxoethyl)imidazo[4,5-c]quinoline-7-carboxylate?
The canonical SMILES for methyl 4-amino-2-butyl-1-(2-methoxy-2-oxoethyl)imidazo[4,5-c]quinoline-7-carboxylate is CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CC(=O)OC.
What is the InChIKey of methyl 4-amino-2-butyl-1-(2-methoxy-2-oxoethyl)imidazo[4,5-c]quinoline-7-carboxylate?
The InChIKey is REOYIWOYPMJBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-4-5-6-14-22-16-17(23(14)10-15(24)26-2)12-8-7-11(19(25)27-3)9-13(12)21-18(16)20/h7-9H,4-6,10H2,1-3H3,(H2,20,21).
What are the key properties of methyl 4-amino-2-butyl-1-(2-methoxy-2-oxoethyl)imidazo[4,5-c]quinoline-7-carboxylate?
methyl 4-amino-2-butyl-1-(2-methoxy-2-oxoethyl)imidazo[4,5-c]quinoline-7-carboxylate has a molecular weight of 370.41 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-butyl-1-(2-methoxy-2-oxoethyl)imidazo[4,5-c]quinoline-7-carboxylate is sourced from PubChem (CID 130289832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).