N-[5-(1-cyclopropyl-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide

C23H23N5O4S — CID 118502486

IUPACN-[5-(1-cyclopropyl-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
SMILESCOc1ncc(-c2ccc3ncc4c(c3c2)n(C2CC2)c(=O)n4C)cc1NS(=O)(=O)C1CC1
InChIInChI=1S/C23H23N5O4S/c1-27-20-12-24-18-8-3-13(9-17(18)21(20)28(23(27)29)15-4-5-15)14-10-19(22(32-2)25-11-14)26-33(30,31)16-6-7-16/h3,8-12,15-16,26H,4-7H2,1-2H3
InChIKeyDYJRBYYBKYZZGT-UHFFFAOYSA-N
MW465.54 g/mol
LogP3.20
Rot. Bonds6

About N-[5-(1-cyclopropyl-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide

N-[5-(1-cyclopropyl-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide (PubChem CID 118502486) has the molecular formula C23H23N5O4S and a molecular weight of 465.54 g/mol. Its IUPAC name is N-[5-(1-cyclopropyl-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[5-(1-cyclopropyl-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
PubChem CID118502486
Molecular FormulaC23H23N5O4S
Molecular Weight465.54 g/mol
Exact Mass465.15
IUPAC NameN-[5-(1-cyclopropyl-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
SMILESCOc1ncc(-c2ccc3ncc4c(c3c2)n(C2CC2)c(=O)n4C)cc1NS(=O)(=O)C1CC1
InChIInChI=1S/C23H23N5O4S/c1-27-20-12-24-18-8-3-13(9-17(18)21(20)28(23(27)29)15-4-5-15)14-10-19(22(32-2)25-11-14)26-33(30,31)16-6-7-16/h3,8-12,15-16,26H,4-7H2,1-2H3
InChIKeyDYJRBYYBKYZZGT-UHFFFAOYSA-N
XLogP3.20
TPSA108.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-cyclopropyl-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
The IUPAC name of N-[5-(1-cyclopropyl-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide (CID 118502486) is N-[5-(1-cyclopropyl-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[5-(1-cyclopropyl-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
The canonical SMILES for N-[5-(1-cyclopropyl-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide is COc1ncc(-c2ccc3ncc4c(c3c2)n(C2CC2)c(=O)n4C)cc1NS(=O)(=O)C1CC1.
What is the InChIKey of N-[5-(1-cyclopropyl-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
The InChIKey is DYJRBYYBKYZZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4S/c1-27-20-12-24-18-8-3-13(9-17(18)21(20)28(23(27)29)15-4-5-15)14-10-19(22(32-2)25-11-14)26-33(30,31)16-6-7-16/h3,8-12,15-16,26H,4-7H2,1-2H3.
What are the key properties of N-[5-(1-cyclopropyl-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
N-[5-(1-cyclopropyl-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide has a molecular weight of 465.54 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-cyclopropyl-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide is sourced from PubChem (CID 118502486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).