8-chloro-1-[(4R)-3,3-dimethyloxan-4-yl]-3-methylimidazo[4,5-c]cinnolin-2-one

C17H19ClN4O2 — CID 138490734

IUPAC8-chloro-1-[(4R)-3,3-dimethyloxan-4-yl]-3-methylimidazo[4,5-c]cinnolin-2-one
SMILESCn1c(=O)n([C@@H]2CCOCC2(C)C)c2c3cc(Cl)ccc3nnc21
InChIInChI=1S/C17H19ClN4O2/c1-17(2)9-24-7-6-13(17)22-14-11-8-10(18)4-5-12(11)19-20-15(14)21(3)16(22)23/h4-5,8,13H,6-7,9H2,1-3H3/t13-/m1/s1
InChIKeyNFBDQTLIWADCGY-CYBMUJFWSA-N
MW346.82 g/mol
LogP2.92
Rot. Bonds1

About 8-chloro-1-[(4R)-3,3-dimethyloxan-4-yl]-3-methylimidazo[4,5-c]cinnolin-2-one

8-chloro-1-[(4R)-3,3-dimethyloxan-4-yl]-3-methylimidazo[4,5-c]cinnolin-2-one (PubChem CID 138490734) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 8-chloro-1-[(4R)-3,3-dimethyloxan-4-yl]-3-methylimidazo[4,5-c]cinnolin-2-one.

Molecular Properties

Compound Name8-chloro-1-[(4R)-3,3-dimethyloxan-4-yl]-3-methylimidazo[4,5-c]cinnolin-2-one
PubChem CID138490734
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name8-chloro-1-[(4R)-3,3-dimethyloxan-4-yl]-3-methylimidazo[4,5-c]cinnolin-2-one
SMILESCn1c(=O)n([C@@H]2CCOCC2(C)C)c2c3cc(Cl)ccc3nnc21
InChIInChI=1S/C17H19ClN4O2/c1-17(2)9-24-7-6-13(17)22-14-11-8-10(18)4-5-12(11)19-20-15(14)21(3)16(22)23/h4-5,8,13H,6-7,9H2,1-3H3/t13-/m1/s1
InChIKeyNFBDQTLIWADCGY-CYBMUJFWSA-N
XLogP2.92
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-[(4R)-3,3-dimethyloxan-4-yl]-3-methylimidazo[4,5-c]cinnolin-2-one?
The IUPAC name of 8-chloro-1-[(4R)-3,3-dimethyloxan-4-yl]-3-methylimidazo[4,5-c]cinnolin-2-one (CID 138490734) is 8-chloro-1-[(4R)-3,3-dimethyloxan-4-yl]-3-methylimidazo[4,5-c]cinnolin-2-one.
What is the SMILES notation for 8-chloro-1-[(4R)-3,3-dimethyloxan-4-yl]-3-methylimidazo[4,5-c]cinnolin-2-one?
The canonical SMILES for 8-chloro-1-[(4R)-3,3-dimethyloxan-4-yl]-3-methylimidazo[4,5-c]cinnolin-2-one is Cn1c(=O)n([C@@H]2CCOCC2(C)C)c2c3cc(Cl)ccc3nnc21.
What is the InChIKey of 8-chloro-1-[(4R)-3,3-dimethyloxan-4-yl]-3-methylimidazo[4,5-c]cinnolin-2-one?
The InChIKey is NFBDQTLIWADCGY-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-17(2)9-24-7-6-13(17)22-14-11-8-10(18)4-5-12(11)19-20-15(14)21(3)16(22)23/h4-5,8,13H,6-7,9H2,1-3H3/t13-/m1/s1.
What are the key properties of 8-chloro-1-[(4R)-3,3-dimethyloxan-4-yl]-3-methylimidazo[4,5-c]cinnolin-2-one?
8-chloro-1-[(4R)-3,3-dimethyloxan-4-yl]-3-methylimidazo[4,5-c]cinnolin-2-one has a molecular weight of 346.82 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-[(4R)-3,3-dimethyloxan-4-yl]-3-methylimidazo[4,5-c]cinnolin-2-one is sourced from PubChem (CID 138490734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).