[4-(tert-butylamino)phenyl]methyl N-[[3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate

C34H40N6O2 — CID 138645232

About [4-(tert-butylamino)phenyl]methyl N-[[3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate

[4-(tert-butylamino)phenyl]methyl N-[[3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate (PubChem CID 138645232) has the molecular formula C34H40N6O2 and a molecular weight of 564.73 g/mol. Its IUPAC name is [4-(tert-butylamino)phenyl]methyl N-[[3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate.

Molecular Properties

• Compound Name: [4-(tert-butylamino)phenyl]methyl N-[[3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate
• PubChem CID: 138645232
• Molecular Formula: C34H40N6O2
• Molecular Weight: 564.73 g/mol
• Exact Mass: 564.32
• IUPAC Name: [4-(tert-butylamino)phenyl]methyl N-[[3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate
• SMILES: CCCCc1nc2c(N)nc3ccccc3c2n1Cc1cccc(CNC(=O)OCc2ccc(NC(C)(C)C)cc2)c1
• InChI: InChI=1S/C34H40N6O2/c1-5-6-14-29-38-30-31(27-12-7-8-13-28(27)37-32(30)35)40(29)21-25-11-9-10-24(19-25)20-36-33(41)42-22-23-15-17-26(18-16-23)39-34(2,3)4/h7-13,15-19,39H,5-6,14,20-22H2,1-4H3,(H2,35,37)(H,36,41)
• InChIKey: MCPYSHQPJGLLPK-UHFFFAOYSA-N
• XLogP: 7.19
• TPSA: 107.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.73
LogP ≤ 5	7.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-(tert-butylamino)phenyl]methyl N-[[3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate?

The IUPAC name of [4-(tert-butylamino)phenyl]methyl N-[[3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate (CID 138645232) is [4-(tert-butylamino)phenyl]methyl N-[[3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate.

What is the SMILES notation for [4-(tert-butylamino)phenyl]methyl N-[[3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate?

The canonical SMILES for [4-(tert-butylamino)phenyl]methyl N-[[3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate is CCCCc1nc2c(N)nc3ccccc3c2n1Cc1cccc(CNC(=O)OCc2ccc(NC(C)(C)C)cc2)c1.

What is the InChIKey of [4-(tert-butylamino)phenyl]methyl N-[[3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate?

The InChIKey is MCPYSHQPJGLLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N6O2/c1-5-6-14-29-38-30-31(27-12-7-8-13-28(27)37-32(30)35)40(29)21-25-11-9-10-24(19-25)20-36-33(41)42-22-23-15-17-26(18-16-23)39-34(2,3)4/h7-13,15-19,39H,5-6,14,20-22H2,1-4H3,(H2,35,37)(H,36,41).

What are the key properties of [4-(tert-butylamino)phenyl]methyl N-[[3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate?

[4-(tert-butylamino)phenyl]methyl N-[[3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate has a molecular weight of 564.73 g/mol, XLogP of 7.19, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(tert-butylamino)phenyl]methyl N-[[3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate is sourced from PubChem (CID 138645232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).