7-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one

C23H22N6O2 — CID 52933561

IUPAC7-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2c(cc1-c1c(C)n[nH]c1C)ncc1[nH]c(=O)n([C@H](C)c3ccccn3)c12
InChIInChI=1S/C23H22N6O2/c1-12-21(13(2)28-27-12)16-9-18-15(10-20(16)31-4)22-19(11-25-18)26-23(30)29(22)14(3)17-7-5-6-8-24-17/h5-11,14H,1-4H3,(H,26,30)(H,27,28)/t14-/m1/s1
InChIKeyDKMDTKIBUUCPMT-CQSZACIVSA-N
MW414.47 g/mol
LogP3.90
Rot. Bonds4

About 7-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one

7-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 52933561) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name7-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID52933561
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name7-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2c(cc1-c1c(C)n[nH]c1C)ncc1[nH]c(=O)n([C@H](C)c3ccccn3)c12
InChIInChI=1S/C23H22N6O2/c1-12-21(13(2)28-27-12)16-9-18-15(10-20(16)31-4)22-19(11-25-18)26-23(30)29(22)14(3)17-7-5-6-8-24-17/h5-11,14H,1-4H3,(H,26,30)(H,27,28)/t14-/m1/s1
InChIKeyDKMDTKIBUUCPMT-CQSZACIVSA-N
XLogP3.90
TPSA101.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 7-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one (CID 52933561) is 7-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 7-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 7-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one is COc1cc2c(cc1-c1c(C)n[nH]c1C)ncc1[nH]c(=O)n([C@H](C)c3ccccn3)c12.
What is the InChIKey of 7-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is DKMDTKIBUUCPMT-CQSZACIVSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-12-21(13(2)28-27-12)16-9-18-15(10-20(16)31-4)22-19(11-25-18)26-23(30)29(22)14(3)17-7-5-6-8-24-17/h5-11,14H,1-4H3,(H,26,30)(H,27,28)/t14-/m1/s1.
What are the key properties of 7-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one?
7-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 414.47 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 52933561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).