8-(6-amino-5-chloro-3-pyridinyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one

C21H17ClN6O2 — CID 59619728

IUPAC8-(6-amino-5-chloro-3-pyridinyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCc1noc(C)c1-n1c(=O)n(C)c2cnc3ccc(-c4cnc(N)c(Cl)c4)cc3c21
InChIInChI=1S/C21H17ClN6O2/c1-10-18(11(2)30-26-10)28-19-14-6-12(13-7-15(22)20(23)25-8-13)4-5-16(14)24-9-17(19)27(3)21(28)29/h4-9H,1-3H3,(H2,23,25)
InChIKeyCUPNAZPMKRWSBE-UHFFFAOYSA-N
MW420.86 g/mol
LogP3.78
Rot. Bonds2

About 8-(6-amino-5-chloro-3-pyridinyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one

8-(6-amino-5-chloro-3-pyridinyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 59619728) has the molecular formula C21H17ClN6O2 and a molecular weight of 420.86 g/mol. Its IUPAC name is 8-(6-amino-5-chloro-3-pyridinyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-(6-amino-5-chloro-3-pyridinyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID59619728
Molecular FormulaC21H17ClN6O2
Molecular Weight420.86 g/mol
Exact Mass420.11
IUPAC Name8-(6-amino-5-chloro-3-pyridinyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCc1noc(C)c1-n1c(=O)n(C)c2cnc3ccc(-c4cnc(N)c(Cl)c4)cc3c21
InChIInChI=1S/C21H17ClN6O2/c1-10-18(11(2)30-26-10)28-19-14-6-12(13-7-15(22)20(23)25-8-13)4-5-16(14)24-9-17(19)27(3)21(28)29/h4-9H,1-3H3,(H2,23,25)
InChIKeyCUPNAZPMKRWSBE-UHFFFAOYSA-N
XLogP3.78
TPSA104.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.86
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

8-bromo-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59620040
8-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
CID 91232152
8-[6-amino-5-(ethoxymethyl)-3-pyridinyl]-1-(3-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619861
8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 57344810
3-[8-(4-chloro-3-methoxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile
CID 134438375
1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-[6-methyl-5-(methylamino)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 59619638
8-[5-(aminomethyl)-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59620031
1-(3-chloro-1-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619918
1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-(6-methyl-5-propan-2-yloxy-3-pyridinyl)imidazo[4,5-c]quinolin-2-one
CID 59620037
1-(3-chloro-1-methylpyrazol-4-yl)-8-[6-(hydroxymethyl)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619928
1-(1-ethyl-3-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619745
1-(6-fluoro-2-methyl-3-pyridinyl)-8-[6-(hydroxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59613089

Frequently Asked Questions

What is the IUPAC name of 8-(6-amino-5-chloro-3-pyridinyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-(6-amino-5-chloro-3-pyridinyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one (CID 59619728) is 8-(6-amino-5-chloro-3-pyridinyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-(6-amino-5-chloro-3-pyridinyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-(6-amino-5-chloro-3-pyridinyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one is Cc1noc(C)c1-n1c(=O)n(C)c2cnc3ccc(-c4cnc(N)c(Cl)c4)cc3c21.
What is the InChIKey of 8-(6-amino-5-chloro-3-pyridinyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is CUPNAZPMKRWSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN6O2/c1-10-18(11(2)30-26-10)28-19-14-6-12(13-7-15(22)20(23)25-8-13)4-5-16(14)24-9-17(19)27(3)21(28)29/h4-9H,1-3H3,(H2,23,25).
What are the key properties of 8-(6-amino-5-chloro-3-pyridinyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
8-(6-amino-5-chloro-3-pyridinyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 420.86 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-amino-5-chloro-3-pyridinyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59619728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).