N-[3-[4-amino-1-(propan-2-ylamino)-2-propylimidazo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide

C23H28N6O2S — CID 11655371

IUPACN-[3-[4-amino-1-(propan-2-ylamino)-2-propylimidazo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide
SMILESCCCc1nc2c(N)nc3cc(-c4cccc(NS(C)(=O)=O)c4)ccc3c2n1NC(C)C
InChIInChI=1S/C23H28N6O2S/c1-5-7-20-26-21-22(29(20)27-14(2)3)18-11-10-16(13-19(18)25-23(21)24)15-8-6-9-17(12-15)28-32(4,30)31/h6,8-14,27-28H,5,7H2,1-4H3,(H2,24,25)
InChIKeyJBSLJQZRKOGTMA-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.11
Rot. Bonds7

About N-[3-[4-amino-1-(propan-2-ylamino)-2-propylimidazo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide

N-[3-[4-amino-1-(propan-2-ylamino)-2-propylimidazo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide (PubChem CID 11655371) has the molecular formula C23H28N6O2S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-[3-[4-amino-1-(propan-2-ylamino)-2-propylimidazo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-amino-1-(propan-2-ylamino)-2-propylimidazo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide
PubChem CID11655371
Molecular FormulaC23H28N6O2S
Molecular Weight452.58 g/mol
Exact Mass452.20
IUPAC NameN-[3-[4-amino-1-(propan-2-ylamino)-2-propylimidazo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide
SMILESCCCc1nc2c(N)nc3cc(-c4cccc(NS(C)(=O)=O)c4)ccc3c2n1NC(C)C
InChIInChI=1S/C23H28N6O2S/c1-5-7-20-26-21-22(29(20)27-14(2)3)18-11-10-16(13-19(18)25-23(21)24)15-8-6-9-17(12-15)28-32(4,30)31/h6,8-14,27-28H,5,7H2,1-4H3,(H2,24,25)
InChIKeyJBSLJQZRKOGTMA-UHFFFAOYSA-N
XLogP4.11
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[3-[4-amino-1-(propan-2-ylamino)-2-propylimidazo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide 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 N-[3-[4-amino-1-(propan-2-ylamino)-2-propylimidazo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[4-amino-1-(propan-2-ylamino)-2-propylimidazo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide (CID 11655371) is N-[3-[4-amino-1-(propan-2-ylamino)-2-propylimidazo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-amino-1-(propan-2-ylamino)-2-propylimidazo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-amino-1-(propan-2-ylamino)-2-propylimidazo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide is CCCc1nc2c(N)nc3cc(-c4cccc(NS(C)(=O)=O)c4)ccc3c2n1NC(C)C.
What is the InChIKey of N-[3-[4-amino-1-(propan-2-ylamino)-2-propylimidazo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide?
The InChIKey is JBSLJQZRKOGTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2S/c1-5-7-20-26-21-22(29(20)27-14(2)3)18-11-10-16(13-19(18)25-23(21)24)15-8-6-9-17(12-15)28-32(4,30)31/h6,8-14,27-28H,5,7H2,1-4H3,(H2,24,25).
What are the key properties of N-[3-[4-amino-1-(propan-2-ylamino)-2-propylimidazo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide?
N-[3-[4-amino-1-(propan-2-ylamino)-2-propylimidazo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide has a molecular weight of 452.58 g/mol, XLogP of 4.11, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-amino-1-(propan-2-ylamino)-2-propylimidazo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 11655371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).