1-(2,6-dimethoxy-3-pyridinyl)-8-[6-(hydroxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one

C25H23N5O5 — CID 59612983

IUPAC1-(2,6-dimethoxy-3-pyridinyl)-8-[6-(hydroxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1ccc(-n2c(=O)n(C)c3cnc4ccc(-c5cnc(CO)c(OC)c5)cc4c32)c(OC)n1
InChIInChI=1S/C25H23N5O5/c1-29-20-12-27-17-6-5-14(15-10-21(33-2)18(13-31)26-11-15)9-16(17)23(20)30(25(29)32)19-7-8-22(34-3)28-24(19)35-4/h5-12,31H,13H2,1-4H3
InChIKeyBEDCNFMKDWSAJD-UHFFFAOYSA-N
MW473.49 g/mol
LogP2.85
Rot. Bonds6

About 1-(2,6-dimethoxy-3-pyridinyl)-8-[6-(hydroxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one

1-(2,6-dimethoxy-3-pyridinyl)-8-[6-(hydroxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 59612983) has the molecular formula C25H23N5O5 and a molecular weight of 473.49 g/mol. Its IUPAC name is 1-(2,6-dimethoxy-3-pyridinyl)-8-[6-(hydroxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(2,6-dimethoxy-3-pyridinyl)-8-[6-(hydroxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID59612983
Molecular FormulaC25H23N5O5
Molecular Weight473.49 g/mol
Exact Mass473.17
IUPAC Name1-(2,6-dimethoxy-3-pyridinyl)-8-[6-(hydroxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1ccc(-n2c(=O)n(C)c3cnc4ccc(-c5cnc(CO)c(OC)c5)cc4c32)c(OC)n1
InChIInChI=1S/C25H23N5O5/c1-29-20-12-27-17-6-5-14(15-10-21(33-2)18(13-31)26-11-15)9-16(17)23(20)30(25(29)32)19-7-8-22(34-3)28-24(19)35-4/h5-12,31H,13H2,1-4H3
InChIKeyBEDCNFMKDWSAJD-UHFFFAOYSA-N
XLogP2.85
TPSA113.52 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxy-3-pyridinyl)-8-[6-(hydroxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(2,6-dimethoxy-3-pyridinyl)-8-[6-(hydroxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one (CID 59612983) is 1-(2,6-dimethoxy-3-pyridinyl)-8-[6-(hydroxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(2,6-dimethoxy-3-pyridinyl)-8-[6-(hydroxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(2,6-dimethoxy-3-pyridinyl)-8-[6-(hydroxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one is COc1ccc(-n2c(=O)n(C)c3cnc4ccc(-c5cnc(CO)c(OC)c5)cc4c32)c(OC)n1.
What is the InChIKey of 1-(2,6-dimethoxy-3-pyridinyl)-8-[6-(hydroxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is BEDCNFMKDWSAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O5/c1-29-20-12-27-17-6-5-14(15-10-21(33-2)18(13-31)26-11-15)9-16(17)23(20)30(25(29)32)19-7-8-22(34-3)28-24(19)35-4/h5-12,31H,13H2,1-4H3.
What are the key properties of 1-(2,6-dimethoxy-3-pyridinyl)-8-[6-(hydroxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
1-(2,6-dimethoxy-3-pyridinyl)-8-[6-(hydroxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 473.49 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxy-3-pyridinyl)-8-[6-(hydroxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59612983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).