1-(2,6-dimethoxy-3-pyridinyl)-8-[2-(dimethylamino)pyrimidin-5-yl]-3H-imidazo[4,5-c]quinolin-2-one

C23H21N7O3 — CID 70212828

IUPAC1-(2,6-dimethoxy-3-pyridinyl)-8-[2-(dimethylamino)pyrimidin-5-yl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESCOc1ccc(-n2c(=O)[nH]c3cnc4ccc(-c5cnc(N(C)C)nc5)cc4c32)c(OC)n1
InChIInChI=1S/C23H21N7O3/c1-29(2)22-25-10-14(11-26-22)13-5-6-16-15(9-13)20-17(12-24-16)27-23(31)30(20)18-7-8-19(32-3)28-21(18)33-4/h5-12H,1-4H3,(H,27,31)
InChIKeyBFJKIWGSGIHCML-UHFFFAOYSA-N
MW443.47 g/mol
LogP2.80
Rot. Bonds5

About 1-(2,6-dimethoxy-3-pyridinyl)-8-[2-(dimethylamino)pyrimidin-5-yl]-3H-imidazo[4,5-c]quinolin-2-one

1-(2,6-dimethoxy-3-pyridinyl)-8-[2-(dimethylamino)pyrimidin-5-yl]-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 70212828) has the molecular formula C23H21N7O3 and a molecular weight of 443.47 g/mol. Its IUPAC name is 1-(2,6-dimethoxy-3-pyridinyl)-8-[2-(dimethylamino)pyrimidin-5-yl]-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(2,6-dimethoxy-3-pyridinyl)-8-[2-(dimethylamino)pyrimidin-5-yl]-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID70212828
Molecular FormulaC23H21N7O3
Molecular Weight443.47 g/mol
Exact Mass443.17
IUPAC Name1-(2,6-dimethoxy-3-pyridinyl)-8-[2-(dimethylamino)pyrimidin-5-yl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESCOc1ccc(-n2c(=O)[nH]c3cnc4ccc(-c5cnc(N(C)C)nc5)cc4c32)c(OC)n1
InChIInChI=1S/C23H21N7O3/c1-29(2)22-25-10-14(11-26-22)13-5-6-16-15(9-13)20-17(12-24-16)27-23(31)30(20)18-7-8-19(32-3)28-21(18)33-4/h5-12H,1-4H3,(H,27,31)
InChIKeyBFJKIWGSGIHCML-UHFFFAOYSA-N
XLogP2.80
TPSA111.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxy-3-pyridinyl)-8-[2-(dimethylamino)pyrimidin-5-yl]-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(2,6-dimethoxy-3-pyridinyl)-8-[2-(dimethylamino)pyrimidin-5-yl]-3H-imidazo[4,5-c]quinolin-2-one (CID 70212828) is 1-(2,6-dimethoxy-3-pyridinyl)-8-[2-(dimethylamino)pyrimidin-5-yl]-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(2,6-dimethoxy-3-pyridinyl)-8-[2-(dimethylamino)pyrimidin-5-yl]-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(2,6-dimethoxy-3-pyridinyl)-8-[2-(dimethylamino)pyrimidin-5-yl]-3H-imidazo[4,5-c]quinolin-2-one is COc1ccc(-n2c(=O)[nH]c3cnc4ccc(-c5cnc(N(C)C)nc5)cc4c32)c(OC)n1.
What is the InChIKey of 1-(2,6-dimethoxy-3-pyridinyl)-8-[2-(dimethylamino)pyrimidin-5-yl]-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is BFJKIWGSGIHCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O3/c1-29(2)22-25-10-14(11-26-22)13-5-6-16-15(9-13)20-17(12-24-16)27-23(31)30(20)18-7-8-19(32-3)28-21(18)33-4/h5-12H,1-4H3,(H,27,31).
What are the key properties of 1-(2,6-dimethoxy-3-pyridinyl)-8-[2-(dimethylamino)pyrimidin-5-yl]-3H-imidazo[4,5-c]quinolin-2-one?
1-(2,6-dimethoxy-3-pyridinyl)-8-[2-(dimethylamino)pyrimidin-5-yl]-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 443.47 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxy-3-pyridinyl)-8-[2-(dimethylamino)pyrimidin-5-yl]-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 70212828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).