3,3-dimethyl-6-[(3-methylimidazol-4-yl)-phenylmethyl]-1,4-dihydroquinolin-2-one

C22H23N3O — CID 143057282

IUPAC3,3-dimethyl-6-[(3-methylimidazol-4-yl)-phenylmethyl]-1,4-dihydroquinolin-2-one
SMILESCn1cncc1C(c1ccccc1)c1ccc2c(c1)CC(C)(C)C(=O)N2
InChIInChI=1S/C22H23N3O/c1-22(2)12-17-11-16(9-10-18(17)24-21(22)26)20(15-7-5-4-6-8-15)19-13-23-14-25(19)3/h4-11,13-14,20H,12H2,1-3H3,(H,24,26)
InChIKeyFAMAPPHXQHVSLC-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.12
Rot. Bonds3

About 3,3-dimethyl-6-[(3-methylimidazol-4-yl)-phenylmethyl]-1,4-dihydroquinolin-2-one

3,3-dimethyl-6-[(3-methylimidazol-4-yl)-phenylmethyl]-1,4-dihydroquinolin-2-one (PubChem CID 143057282) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 3,3-dimethyl-6-[(3-methylimidazol-4-yl)-phenylmethyl]-1,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-6-[(3-methylimidazol-4-yl)-phenylmethyl]-1,4-dihydroquinolin-2-one
PubChem CID143057282
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name3,3-dimethyl-6-[(3-methylimidazol-4-yl)-phenylmethyl]-1,4-dihydroquinolin-2-one
SMILESCn1cncc1C(c1ccccc1)c1ccc2c(c1)CC(C)(C)C(=O)N2
InChIInChI=1S/C22H23N3O/c1-22(2)12-17-11-16(9-10-18(17)24-21(22)26)20(15-7-5-4-6-8-15)19-13-23-14-25(19)3/h4-11,13-14,20H,12H2,1-3H3,(H,24,26)
InChIKeyFAMAPPHXQHVSLC-UHFFFAOYSA-N
XLogP4.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-[(3-methylimidazol-4-yl)-phenylmethyl]-1,4-dihydroquinolin-2-one?
The IUPAC name of 3,3-dimethyl-6-[(3-methylimidazol-4-yl)-phenylmethyl]-1,4-dihydroquinolin-2-one (CID 143057282) is 3,3-dimethyl-6-[(3-methylimidazol-4-yl)-phenylmethyl]-1,4-dihydroquinolin-2-one.
What is the SMILES notation for 3,3-dimethyl-6-[(3-methylimidazol-4-yl)-phenylmethyl]-1,4-dihydroquinolin-2-one?
The canonical SMILES for 3,3-dimethyl-6-[(3-methylimidazol-4-yl)-phenylmethyl]-1,4-dihydroquinolin-2-one is Cn1cncc1C(c1ccccc1)c1ccc2c(c1)CC(C)(C)C(=O)N2.
What is the InChIKey of 3,3-dimethyl-6-[(3-methylimidazol-4-yl)-phenylmethyl]-1,4-dihydroquinolin-2-one?
The InChIKey is FAMAPPHXQHVSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-22(2)12-17-11-16(9-10-18(17)24-21(22)26)20(15-7-5-4-6-8-15)19-13-23-14-25(19)3/h4-11,13-14,20H,12H2,1-3H3,(H,24,26).
What are the key properties of 3,3-dimethyl-6-[(3-methylimidazol-4-yl)-phenylmethyl]-1,4-dihydroquinolin-2-one?
3,3-dimethyl-6-[(3-methylimidazol-4-yl)-phenylmethyl]-1,4-dihydroquinolin-2-one has a molecular weight of 345.45 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-[(3-methylimidazol-4-yl)-phenylmethyl]-1,4-dihydroquinolin-2-one is sourced from PubChem (CID 143057282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).