N-methyl-N-[4-(3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanesulfonamide

C25H23N5O3S — CID 11978436

IUPACN-methyl-N-[4-(3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)c1ccc(-n2c(=O)n(C)c3cnc4ccc(-c5cccnc5)cc4c32)cc1
InChIInChI=1S/C25H23N5O3S/c1-4-34(32,33)29(3)19-8-10-20(11-9-19)30-24-21-14-17(18-6-5-13-26-15-18)7-12-22(21)27-16-23(24)28(2)25(30)31/h5-16H,4H2,1-3H3
InChIKeySNSOOFJCZQRZLZ-UHFFFAOYSA-N
MW473.56 g/mol
LogP3.73
Rot. Bonds5

About N-methyl-N-[4-(3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanesulfonamide

N-methyl-N-[4-(3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanesulfonamide (PubChem CID 11978436) has the molecular formula C25H23N5O3S and a molecular weight of 473.56 g/mol. Its IUPAC name is N-methyl-N-[4-(3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-(3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanesulfonamide
PubChem CID11978436
Molecular FormulaC25H23N5O3S
Molecular Weight473.56 g/mol
Exact Mass473.15
IUPAC NameN-methyl-N-[4-(3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)c1ccc(-n2c(=O)n(C)c3cnc4ccc(-c5cccnc5)cc4c32)cc1
InChIInChI=1S/C25H23N5O3S/c1-4-34(32,33)29(3)19-8-10-20(11-9-19)30-24-21-14-17(18-6-5-13-26-15-18)7-12-22(21)27-16-23(24)28(2)25(30)31/h5-16H,4H2,1-3H3
InChIKeySNSOOFJCZQRZLZ-UHFFFAOYSA-N
XLogP3.73
TPSA90.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-N-[4-(3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanesulfonamide with MolForge

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Related Compounds

1-[4-[bis(2-methoxyethyl)amino]phenyl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one;4-methylbenzenesulfonic acid
CID 87184980
1-(2-ethylphenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
CID 11978091
1-(2-ethylphenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one;4-methylbenzenesulfonic acid
CID 87185357
1-(3-chloro-4-imidazol-1-ylphenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
CID 11979036
2-[4-(3-ethyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile
CID 11978438
1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
CID 11978553
2-[1-butoxycarbonyl-3-[4-(3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]azetidin-3-yl]acetic acid
CID 90422218
1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one
CID 66846394
5-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-2-carbonitrile
CID 57344183
1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
CID 167528112
1-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
CID 167528103
3-[(4-methoxyphenyl)methyl]-1-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
CID 155551609

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-methyl-N-[4-(3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanesulfonamide (CID 11978436) is N-methyl-N-[4-(3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-methyl-N-[4-(3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-methyl-N-[4-(3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanesulfonamide is CCS(=O)(=O)N(C)c1ccc(-n2c(=O)n(C)c3cnc4ccc(-c5cccnc5)cc4c32)cc1.
What is the InChIKey of N-methyl-N-[4-(3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanesulfonamide?
The InChIKey is SNSOOFJCZQRZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3S/c1-4-34(32,33)29(3)19-8-10-20(11-9-19)30-24-21-14-17(18-6-5-13-26-15-18)7-12-22(21)27-16-23(24)28(2)25(30)31/h5-16H,4H2,1-3H3.
What are the key properties of N-methyl-N-[4-(3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanesulfonamide?
N-methyl-N-[4-(3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanesulfonamide has a molecular weight of 473.56 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 11978436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).