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

C24H29N5O — CID 58421820

IUPAC1-[4-(benzylamino)-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
SMILESCCCNc1nc2c(NCc3ccccc3)nc3ccccc3c2n1CC(C)(C)O
InChIInChI=1S/C24H29N5O/c1-4-14-25-23-28-20-21(29(23)16-24(2,3)30)18-12-8-9-13-19(18)27-22(20)26-15-17-10-6-5-7-11-17/h5-13,30H,4,14-16H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyDPOQDABVLHTWST-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.79
Rot. Bonds8

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

1-[4-(benzylamino)-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol (PubChem CID 58421820) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 1-[4-(benzylamino)-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(benzylamino)-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
PubChem CID58421820
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name1-[4-(benzylamino)-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
SMILESCCCNc1nc2c(NCc3ccccc3)nc3ccccc3c2n1CC(C)(C)O
InChIInChI=1S/C24H29N5O/c1-4-14-25-23-28-20-21(29(23)16-24(2,3)30)18-12-8-9-13-19(18)27-22(20)26-15-17-10-6-5-7-11-17/h5-13,30H,4,14-16H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyDPOQDABVLHTWST-UHFFFAOYSA-N
XLogP4.79
TPSA75.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzylamino)-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-(benzylamino)-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol (CID 58421820) is 1-[4-(benzylamino)-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-(benzylamino)-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-(benzylamino)-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol is CCCNc1nc2c(NCc3ccccc3)nc3ccccc3c2n1CC(C)(C)O.
What is the InChIKey of 1-[4-(benzylamino)-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?
The InChIKey is DPOQDABVLHTWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-4-14-25-23-28-20-21(29(23)16-24(2,3)30)18-12-8-9-13-19(18)27-22(20)26-15-17-10-6-5-7-11-17/h5-13,30H,4,14-16H2,1-3H3,(H,25,28)(H,26,27).
What are the key properties of 1-[4-(benzylamino)-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?
1-[4-(benzylamino)-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol has a molecular weight of 403.53 g/mol, XLogP of 4.79, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzylamino)-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 58421820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).