7-chloro-2-(2-methoxyethylamino)-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one

C20H19ClN4O2 — CID 170551423

IUPAC7-chloro-2-(2-methoxyethylamino)-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one
SMILESCOCCNc1nc2c(=O)n(-c3ccccc3)c3cc(Cl)ccc3c2n1C
InChIInChI=1S/C20H19ClN4O2/c1-24-18-15-9-8-13(21)12-16(15)25(14-6-4-3-5-7-14)19(26)17(18)23-20(24)22-10-11-27-2/h3-9,12H,10-11H2,1-2H3,(H,22,23)
InChIKeySHZSBIDHHPLWGN-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.59
Rot. Bonds5

About 7-chloro-2-(2-methoxyethylamino)-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one

7-chloro-2-(2-methoxyethylamino)-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one (PubChem CID 170551423) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 7-chloro-2-(2-methoxyethylamino)-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-chloro-2-(2-methoxyethylamino)-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one
PubChem CID170551423
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name7-chloro-2-(2-methoxyethylamino)-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one
SMILESCOCCNc1nc2c(=O)n(-c3ccccc3)c3cc(Cl)ccc3c2n1C
InChIInChI=1S/C20H19ClN4O2/c1-24-18-15-9-8-13(21)12-16(15)25(14-6-4-3-5-7-14)19(26)17(18)23-20(24)22-10-11-27-2/h3-9,12H,10-11H2,1-2H3,(H,22,23)
InChIKeySHZSBIDHHPLWGN-UHFFFAOYSA-N
XLogP3.59
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-methoxyethylamino)-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one?
The IUPAC name of 7-chloro-2-(2-methoxyethylamino)-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one (CID 170551423) is 7-chloro-2-(2-methoxyethylamino)-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-chloro-2-(2-methoxyethylamino)-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-chloro-2-(2-methoxyethylamino)-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one is COCCNc1nc2c(=O)n(-c3ccccc3)c3cc(Cl)ccc3c2n1C.
What is the InChIKey of 7-chloro-2-(2-methoxyethylamino)-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one?
The InChIKey is SHZSBIDHHPLWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-24-18-15-9-8-13(21)12-16(15)25(14-6-4-3-5-7-14)19(26)17(18)23-20(24)22-10-11-27-2/h3-9,12H,10-11H2,1-2H3,(H,22,23).
What are the key properties of 7-chloro-2-(2-methoxyethylamino)-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one?
7-chloro-2-(2-methoxyethylamino)-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one has a molecular weight of 382.85 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2-methoxyethylamino)-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one is sourced from PubChem (CID 170551423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).