3-(5-ethyl-1H-imidazol-2-yl)-2,7,7-trimethyl-4-pyridin-3-yl-6,8-dihydroquinolin-5-one

C22H24N4O — CID 11996901

IUPAC3-(5-ethyl-1H-imidazol-2-yl)-2,7,7-trimethyl-4-pyridin-3-yl-6,8-dihydroquinolin-5-one
SMILESCCc1cnc(-c2c(C)nc3c(c2-c2cccnc2)C(=O)CC(C)(C)C3)[nH]1
InChIInChI=1S/C22H24N4O/c1-5-15-12-24-21(26-15)18-13(2)25-16-9-22(3,4)10-17(27)20(16)19(18)14-7-6-8-23-11-14/h6-8,11-12H,5,9-10H2,1-4H3,(H,24,26)
InChIKeySVADZSLBWGAZTI-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.56
Rot. Bonds3

About 3-(5-ethyl-1H-imidazol-2-yl)-2,7,7-trimethyl-4-pyridin-3-yl-6,8-dihydroquinolin-5-one

3-(5-ethyl-1H-imidazol-2-yl)-2,7,7-trimethyl-4-pyridin-3-yl-6,8-dihydroquinolin-5-one (PubChem CID 11996901) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-(5-ethyl-1H-imidazol-2-yl)-2,7,7-trimethyl-4-pyridin-3-yl-6,8-dihydroquinolin-5-one.

Molecular Properties

Compound Name3-(5-ethyl-1H-imidazol-2-yl)-2,7,7-trimethyl-4-pyridin-3-yl-6,8-dihydroquinolin-5-one
PubChem CID11996901
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name3-(5-ethyl-1H-imidazol-2-yl)-2,7,7-trimethyl-4-pyridin-3-yl-6,8-dihydroquinolin-5-one
SMILESCCc1cnc(-c2c(C)nc3c(c2-c2cccnc2)C(=O)CC(C)(C)C3)[nH]1
InChIInChI=1S/C22H24N4O/c1-5-15-12-24-21(26-15)18-13(2)25-16-9-22(3,4)10-17(27)20(16)19(18)14-7-6-8-23-11-14/h6-8,11-12H,5,9-10H2,1-4H3,(H,24,26)
InChIKeySVADZSLBWGAZTI-UHFFFAOYSA-N
XLogP4.56
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-1H-imidazol-2-yl)-2,7,7-trimethyl-4-pyridin-3-yl-6,8-dihydroquinolin-5-one?
The IUPAC name of 3-(5-ethyl-1H-imidazol-2-yl)-2,7,7-trimethyl-4-pyridin-3-yl-6,8-dihydroquinolin-5-one (CID 11996901) is 3-(5-ethyl-1H-imidazol-2-yl)-2,7,7-trimethyl-4-pyridin-3-yl-6,8-dihydroquinolin-5-one.
What is the SMILES notation for 3-(5-ethyl-1H-imidazol-2-yl)-2,7,7-trimethyl-4-pyridin-3-yl-6,8-dihydroquinolin-5-one?
The canonical SMILES for 3-(5-ethyl-1H-imidazol-2-yl)-2,7,7-trimethyl-4-pyridin-3-yl-6,8-dihydroquinolin-5-one is CCc1cnc(-c2c(C)nc3c(c2-c2cccnc2)C(=O)CC(C)(C)C3)[nH]1.
What is the InChIKey of 3-(5-ethyl-1H-imidazol-2-yl)-2,7,7-trimethyl-4-pyridin-3-yl-6,8-dihydroquinolin-5-one?
The InChIKey is SVADZSLBWGAZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-5-15-12-24-21(26-15)18-13(2)25-16-9-22(3,4)10-17(27)20(16)19(18)14-7-6-8-23-11-14/h6-8,11-12H,5,9-10H2,1-4H3,(H,24,26).
What are the key properties of 3-(5-ethyl-1H-imidazol-2-yl)-2,7,7-trimethyl-4-pyridin-3-yl-6,8-dihydroquinolin-5-one?
3-(5-ethyl-1H-imidazol-2-yl)-2,7,7-trimethyl-4-pyridin-3-yl-6,8-dihydroquinolin-5-one has a molecular weight of 360.46 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-1H-imidazol-2-yl)-2,7,7-trimethyl-4-pyridin-3-yl-6,8-dihydroquinolin-5-one is sourced from PubChem (CID 11996901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).