7-methoxy-1-[[3-(methylsulfonimidoyl)phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one

C19H18N4O3S — CID 175899098

IUPAC7-methoxy-1-[[3-(methylsulfonimidoyl)phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILES[H]N=S(C)(=O)c1cccc(Cn2c(=O)[nH]c3cnc4cc(OC)ccc4c32)c1
InChIInChI=1S/C19H18N4O3S/c1-26-13-6-7-15-16(9-13)21-10-17-18(15)23(19(24)22-17)11-12-4-3-5-14(8-12)27(2,20)25/h3-10,20H,11H2,1-2H3,(H,22,24)
InChIKeyKJUNZWAFEJRTFD-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.97
Rot. Bonds4

About 7-methoxy-1-[[3-(methylsulfonimidoyl)phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one

7-methoxy-1-[[3-(methylsulfonimidoyl)phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 175899098) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 7-methoxy-1-[[3-(methylsulfonimidoyl)phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name7-methoxy-1-[[3-(methylsulfonimidoyl)phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID175899098
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name7-methoxy-1-[[3-(methylsulfonimidoyl)phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILES[H]N=S(C)(=O)c1cccc(Cn2c(=O)[nH]c3cnc4cc(OC)ccc4c32)c1
InChIInChI=1S/C19H18N4O3S/c1-26-13-6-7-15-16(9-13)21-10-17-18(15)23(19(24)22-17)11-12-4-3-5-14(8-12)27(2,20)25/h3-10,20H,11H2,1-2H3,(H,22,24)
InChIKeyKJUNZWAFEJRTFD-UHFFFAOYSA-N
XLogP2.97
TPSA100.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-[[3-(methylsulfonimidoyl)phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 7-methoxy-1-[[3-(methylsulfonimidoyl)phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one (CID 175899098) is 7-methoxy-1-[[3-(methylsulfonimidoyl)phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 7-methoxy-1-[[3-(methylsulfonimidoyl)phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 7-methoxy-1-[[3-(methylsulfonimidoyl)phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one is [H]N=S(C)(=O)c1cccc(Cn2c(=O)[nH]c3cnc4cc(OC)ccc4c32)c1.
What is the InChIKey of 7-methoxy-1-[[3-(methylsulfonimidoyl)phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is KJUNZWAFEJRTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-26-13-6-7-15-16(9-13)21-10-17-18(15)23(19(24)22-17)11-12-4-3-5-14(8-12)27(2,20)25/h3-10,20H,11H2,1-2H3,(H,22,24).
What are the key properties of 7-methoxy-1-[[3-(methylsulfonimidoyl)phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one?
7-methoxy-1-[[3-(methylsulfonimidoyl)phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 382.45 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-[[3-(methylsulfonimidoyl)phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 175899098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).