tert-butyl N-[3-[2-amino-4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[4,5-c]quinolin-1-yl]propyl]carbamate

C34H40N6O4 — CID 66814297

IUPACtert-butyl N-[3-[2-amino-4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[4,5-c]quinolin-1-yl]propyl]carbamate
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2nc3ccccc3c3c2nc(N)n3CCCNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C34H40N6O4/c1-34(2,3)44-33(41)36-19-8-20-40-30-27-9-6-7-10-28(27)37-31(29(30)38-32(40)35)39(21-23-11-15-25(42-4)16-12-23)22-24-13-17-26(43-5)18-14-24/h6-7,9-18H,8,19-22H2,1-5H3,(H2,35,38)(H,36,41)
InChIKeyJHJZMXNNRBJTNL-UHFFFAOYSA-N
MW596.73 g/mol
LogP6.31
Rot. Bonds11

About tert-butyl N-[3-[2-amino-4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[4,5-c]quinolin-1-yl]propyl]carbamate

tert-butyl N-[3-[2-amino-4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[4,5-c]quinolin-1-yl]propyl]carbamate (PubChem CID 66814297) has the molecular formula C34H40N6O4 and a molecular weight of 596.73 g/mol. Its IUPAC name is tert-butyl N-[3-[2-amino-4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[4,5-c]quinolin-1-yl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-amino-4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[4,5-c]quinolin-1-yl]propyl]carbamate
PubChem CID66814297
Molecular FormulaC34H40N6O4
Molecular Weight596.73 g/mol
Exact Mass596.31
IUPAC Nametert-butyl N-[3-[2-amino-4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[4,5-c]quinolin-1-yl]propyl]carbamate
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2nc3ccccc3c3c2nc(N)n3CCCNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C34H40N6O4/c1-34(2,3)44-33(41)36-19-8-20-40-30-27-9-6-7-10-28(27)37-31(29(30)38-32(40)35)39(21-23-11-15-25(42-4)16-12-23)22-24-13-17-26(43-5)18-14-24/h6-7,9-18H,8,19-22H2,1-5H3,(H2,35,38)(H,36,41)
InChIKeyJHJZMXNNRBJTNL-UHFFFAOYSA-N
XLogP6.31
TPSA116.76 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.73
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze tert-butyl N-[3-[2-amino-4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[4,5-c]quinolin-1-yl]propyl]carbamate with MolForge

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Related Compounds

Benzeneethanamine, 4-[8-[2-(4-methoxyphenyl)ethynyl]-1H-imidazo[4,5-c]quinolin-1-yl]-
CID 11258617
7-[2-(4-Methoxyphenyl)-5,6-dimethylbenzimidazol-1-yl]quinazoline-2,4-diamine
CID 76336478
7-methoxy-N-[(4-methoxyphenyl)methyl]-5H-pyrimido[5,4-b]indol-4-amine
CID 907638
6-[(4-Ethoxyphenyl)methyl]-9-methoxyindolo[3,2-b]quinoxaline
CID 4318329
1-benzyl-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine
CID 12891623
2-(4-Methoxyphenyl)-1-{3-[4-(3-acetylaminophenyl)piperidin-1-yl]propyl}-1h-benzimidazole
CID 25116308
N-benzyl-2-(2-methoxyindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 72721010
2-Butyl-7-methoxy-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
CID 155213751
1-(4-Amino-2-butyl-7-methoxyimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
CID 155222098
ethyl 4-(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)piperazine-1-carboxylate
CID 658919
N-[2-(4-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine
CID 931085
1-allyl-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]quinoxaline
CID 946607

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-amino-4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[4,5-c]quinolin-1-yl]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-amino-4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[4,5-c]quinolin-1-yl]propyl]carbamate (CID 66814297) is tert-butyl N-[3-[2-amino-4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[4,5-c]quinolin-1-yl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-amino-4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[4,5-c]quinolin-1-yl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-amino-4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[4,5-c]quinolin-1-yl]propyl]carbamate is COc1ccc(CN(Cc2ccc(OC)cc2)c2nc3ccccc3c3c2nc(N)n3CCCNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[3-[2-amino-4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[4,5-c]quinolin-1-yl]propyl]carbamate?
The InChIKey is JHJZMXNNRBJTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N6O4/c1-34(2,3)44-33(41)36-19-8-20-40-30-27-9-6-7-10-28(27)37-31(29(30)38-32(40)35)39(21-23-11-15-25(42-4)16-12-23)22-24-13-17-26(43-5)18-14-24/h6-7,9-18H,8,19-22H2,1-5H3,(H2,35,38)(H,36,41).
What are the key properties of tert-butyl N-[3-[2-amino-4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[4,5-c]quinolin-1-yl]propyl]carbamate?
tert-butyl N-[3-[2-amino-4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[4,5-c]quinolin-1-yl]propyl]carbamate has a molecular weight of 596.73 g/mol, XLogP of 6.31, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-amino-4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[4,5-c]quinolin-1-yl]propyl]carbamate is sourced from PubChem (CID 66814297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).