8-(6-amino-3-pyridinyl)-1-(3-methoxyphenyl)-3-methylimidazo[4,5-c]quinolin-2-one

C23H19N5O2 — CID 127046084

IUPAC8-(6-amino-3-pyridinyl)-1-(3-methoxyphenyl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1cccc(-n2c(=O)n(C)c3cnc4ccc(-c5ccc(N)nc5)cc4c32)c1
InChIInChI=1S/C23H19N5O2/c1-27-20-13-25-19-8-6-14(15-7-9-21(24)26-12-15)10-18(19)22(20)28(23(27)29)16-4-3-5-17(11-16)30-2/h3-13H,1-2H3,(H2,24,26)
InChIKeyRWXBYPHLBOYFKI-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.53
Rot. Bonds3

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

8-(6-amino-3-pyridinyl)-1-(3-methoxyphenyl)-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 127046084) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 8-(6-amino-3-pyridinyl)-1-(3-methoxyphenyl)-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-(6-amino-3-pyridinyl)-1-(3-methoxyphenyl)-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID127046084
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name8-(6-amino-3-pyridinyl)-1-(3-methoxyphenyl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1cccc(-n2c(=O)n(C)c3cnc4ccc(-c5ccc(N)nc5)cc4c32)c1
InChIInChI=1S/C23H19N5O2/c1-27-20-13-25-19-8-6-14(15-7-9-21(24)26-12-15)10-18(19)22(20)28(23(27)29)16-4-3-5-17(11-16)30-2/h3-13H,1-2H3,(H2,24,26)
InChIKeyRWXBYPHLBOYFKI-UHFFFAOYSA-N
XLogP3.53
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(6-amino-3-pyridinyl)-1-(3-methoxyphenyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-(6-amino-3-pyridinyl)-1-(3-methoxyphenyl)-3-methylimidazo[4,5-c]quinolin-2-one (CID 127046084) is 8-(6-amino-3-pyridinyl)-1-(3-methoxyphenyl)-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-(6-amino-3-pyridinyl)-1-(3-methoxyphenyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-(6-amino-3-pyridinyl)-1-(3-methoxyphenyl)-3-methylimidazo[4,5-c]quinolin-2-one is COc1cccc(-n2c(=O)n(C)c3cnc4ccc(-c5ccc(N)nc5)cc4c32)c1.
What is the InChIKey of 8-(6-amino-3-pyridinyl)-1-(3-methoxyphenyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is RWXBYPHLBOYFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-27-20-13-25-19-8-6-14(15-7-9-21(24)26-12-15)10-18(19)22(20)28(23(27)29)16-4-3-5-17(11-16)30-2/h3-13H,1-2H3,(H2,24,26).
What are the key properties of 8-(6-amino-3-pyridinyl)-1-(3-methoxyphenyl)-3-methylimidazo[4,5-c]quinolin-2-one?
8-(6-amino-3-pyridinyl)-1-(3-methoxyphenyl)-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 397.44 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-amino-3-pyridinyl)-1-(3-methoxyphenyl)-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 127046084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).