methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate

C28H33N5O3 — CID 130289830

IUPACmethyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate
SMILESCCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C28H33N5O3/c1-3-4-5-24-31-25-26(22-11-10-21(28(34)35-2)16-23(22)30-27(25)29)33(24)18-20-8-6-19(7-9-20)17-32-12-14-36-15-13-32/h6-11,16H,3-5,12-15,17-18H2,1-2H3,(H2,29,30)
InChIKeyWZQMYFOGVLXUKR-UHFFFAOYSA-N
MW487.60 g/mol
LogP4.18
Rot. Bonds8

About methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate

methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate (PubChem CID 130289830) has the molecular formula C28H33N5O3 and a molecular weight of 487.60 g/mol. Its IUPAC name is methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate
PubChem CID130289830
Molecular FormulaC28H33N5O3
Molecular Weight487.60 g/mol
Exact Mass487.26
IUPAC Namemethyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate
SMILESCCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C28H33N5O3/c1-3-4-5-24-31-25-26(22-11-10-21(28(34)35-2)16-23(22)30-27(25)29)33(24)18-20-8-6-19(7-9-20)17-32-12-14-36-15-13-32/h6-11,16H,3-5,12-15,17-18H2,1-2H3,(H2,29,30)
InChIKeyWZQMYFOGVLXUKR-UHFFFAOYSA-N
XLogP4.18
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 54.18
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-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate?
The IUPAC name of methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate (CID 130289830) is methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate.
What is the SMILES notation for methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate?
The canonical SMILES for methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate is CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate?
The InChIKey is WZQMYFOGVLXUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O3/c1-3-4-5-24-31-25-26(22-11-10-21(28(34)35-2)16-23(22)30-27(25)29)33(24)18-20-8-6-19(7-9-20)17-32-12-14-36-15-13-32/h6-11,16H,3-5,12-15,17-18H2,1-2H3,(H2,29,30).
What are the key properties of methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate?
methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate has a molecular weight of 487.60 g/mol, XLogP of 4.18, 8 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-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate is sourced from PubChem (CID 130289830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).