tert-butyl N-[4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]butyl]carbamate

C32H43N5O4 — CID 138457295

IUPACtert-butyl N-[4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]butyl]carbamate
SMILESCCCCc1nc2c(NCc3ccc(OC)cc3OC)nc3ccccc3c2n1CCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C32H43N5O4/c1-7-8-15-27-36-28-29(37(27)19-12-11-18-33-31(38)41-32(2,3)4)24-13-9-10-14-25(24)35-30(28)34-21-22-16-17-23(39-5)20-26(22)40-6/h9-10,13-14,16-17,20H,7-8,11-12,15,18-19,21H2,1-6H3,(H,33,38)(H,34,35)
InChIKeyFEYVYAXXORTGQE-UHFFFAOYSA-N
MW561.73 g/mol
LogP6.86
Rot. Bonds13

About tert-butyl N-[4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]butyl]carbamate

tert-butyl N-[4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]butyl]carbamate (PubChem CID 138457295) has the molecular formula C32H43N5O4 and a molecular weight of 561.73 g/mol. Its IUPAC name is tert-butyl N-[4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]butyl]carbamate
PubChem CID138457295
Molecular FormulaC32H43N5O4
Molecular Weight561.73 g/mol
Exact Mass561.33
IUPAC Nametert-butyl N-[4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]butyl]carbamate
SMILESCCCCc1nc2c(NCc3ccc(OC)cc3OC)nc3ccccc3c2n1CCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C32H43N5O4/c1-7-8-15-27-36-28-29(37(27)19-12-11-18-33-31(38)41-32(2,3)4)24-13-9-10-14-25(24)35-30(28)34-21-22-16-17-23(39-5)20-26(22)40-6/h9-10,13-14,16-17,20H,7-8,11-12,15,18-19,21H2,1-6H3,(H,33,38)(H,34,35)
InChIKeyFEYVYAXXORTGQE-UHFFFAOYSA-N
XLogP6.86
TPSA99.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.73
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]butyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]butyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]butyl]carbamate (CID 138457295) is tert-butyl N-[4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]butyl]carbamate is CCCCc1nc2c(NCc3ccc(OC)cc3OC)nc3ccccc3c2n1CCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]butyl]carbamate?
The InChIKey is FEYVYAXXORTGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N5O4/c1-7-8-15-27-36-28-29(37(27)19-12-11-18-33-31(38)41-32(2,3)4)24-13-9-10-14-25(24)35-30(28)34-21-22-16-17-23(39-5)20-26(22)40-6/h9-10,13-14,16-17,20H,7-8,11-12,15,18-19,21H2,1-6H3,(H,33,38)(H,34,35).
What are the key properties of tert-butyl N-[4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]butyl]carbamate?
tert-butyl N-[4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]butyl]carbamate has a molecular weight of 561.73 g/mol, XLogP of 6.86, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]butyl]carbamate is sourced from PubChem (CID 138457295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).