1-[4-(dibenzylamino)-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

C31H35N5O — CID 11569490

IUPAC1-[4-(dibenzylamino)-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
SMILESCCCNc1nc2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c2n1CC(C)(C)O
InChIInChI=1S/C31H35N5O/c1-4-19-32-30-34-27-28(36(30)22-31(2,3)37)25-17-11-12-18-26(25)33-29(27)35(20-23-13-7-5-8-14-23)21-24-15-9-6-10-16-24/h5-18,37H,4,19-22H2,1-3H3,(H,32,34)
InChIKeyVIAHPLOKHJGWHI-UHFFFAOYSA-N
MW493.66 g/mol
LogP6.38
Rot. Bonds10

About 1-[4-(dibenzylamino)-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

1-[4-(dibenzylamino)-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol (PubChem CID 11569490) has the molecular formula C31H35N5O and a molecular weight of 493.66 g/mol. Its IUPAC name is 1-[4-(dibenzylamino)-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(dibenzylamino)-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
PubChem CID11569490
Molecular FormulaC31H35N5O
Molecular Weight493.66 g/mol
Exact Mass493.28
IUPAC Name1-[4-(dibenzylamino)-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
SMILESCCCNc1nc2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c2n1CC(C)(C)O
InChIInChI=1S/C31H35N5O/c1-4-19-32-30-34-27-28(36(30)22-31(2,3)37)25-17-11-12-18-26(25)33-29(27)35(20-23-13-7-5-8-14-23)21-24-15-9-6-10-16-24/h5-18,37H,4,19-22H2,1-3H3,(H,32,34)
InChIKeyVIAHPLOKHJGWHI-UHFFFAOYSA-N
XLogP6.38
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.66
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dibenzylamino)-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-(dibenzylamino)-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol (CID 11569490) is 1-[4-(dibenzylamino)-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-(dibenzylamino)-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-(dibenzylamino)-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol is CCCNc1nc2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c2n1CC(C)(C)O.
What is the InChIKey of 1-[4-(dibenzylamino)-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?
The InChIKey is VIAHPLOKHJGWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O/c1-4-19-32-30-34-27-28(36(30)22-31(2,3)37)25-17-11-12-18-26(25)33-29(27)35(20-23-13-7-5-8-14-23)21-24-15-9-6-10-16-24/h5-18,37H,4,19-22H2,1-3H3,(H,32,34).
What are the key properties of 1-[4-(dibenzylamino)-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?
1-[4-(dibenzylamino)-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol has a molecular weight of 493.66 g/mol, XLogP of 6.38, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dibenzylamino)-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 11569490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).