4-(3-chlorophenyl)-1-methyl-6-[[5-[(4-oxo-1-pyridinyl)methyl]imidazol-1-yl]methyl]quinolin-2-one

C26H21ClN4O2 — CID 23646773

IUPAC4-(3-chlorophenyl)-1-methyl-6-[[5-[(4-oxo-1-pyridinyl)methyl]imidazol-1-yl]methyl]quinolin-2-one
SMILESCn1c(=O)cc(-c2cccc(Cl)c2)c2cc(Cn3cncc3Cn3ccc(=O)cc3)ccc21
InChIInChI=1S/C26H21ClN4O2/c1-29-25-6-5-18(11-24(25)23(13-26(29)33)19-3-2-4-20(27)12-19)15-31-17-28-14-21(31)16-30-9-7-22(32)8-10-30/h2-14,17H,15-16H2,1H3
InChIKeyIBAVHLSMEQFZPY-UHFFFAOYSA-N
MW456.93 g/mol
LogP4.31
Rot. Bonds5

About 4-(3-chlorophenyl)-1-methyl-6-[[5-[(4-oxo-1-pyridinyl)methyl]imidazol-1-yl]methyl]quinolin-2-one

4-(3-chlorophenyl)-1-methyl-6-[[5-[(4-oxo-1-pyridinyl)methyl]imidazol-1-yl]methyl]quinolin-2-one (PubChem CID 23646773) has the molecular formula C26H21ClN4O2 and a molecular weight of 456.93 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1-methyl-6-[[5-[(4-oxo-1-pyridinyl)methyl]imidazol-1-yl]methyl]quinolin-2-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1-methyl-6-[[5-[(4-oxo-1-pyridinyl)methyl]imidazol-1-yl]methyl]quinolin-2-one
PubChem CID23646773
Molecular FormulaC26H21ClN4O2
Molecular Weight456.93 g/mol
Exact Mass456.14
IUPAC Name4-(3-chlorophenyl)-1-methyl-6-[[5-[(4-oxo-1-pyridinyl)methyl]imidazol-1-yl]methyl]quinolin-2-one
SMILESCn1c(=O)cc(-c2cccc(Cl)c2)c2cc(Cn3cncc3Cn3ccc(=O)cc3)ccc21
InChIInChI=1S/C26H21ClN4O2/c1-29-25-6-5-18(11-24(25)23(13-26(29)33)19-3-2-4-20(27)12-19)15-31-17-28-14-21(31)16-30-9-7-22(32)8-10-30/h2-14,17H,15-16H2,1H3
InChIKeyIBAVHLSMEQFZPY-UHFFFAOYSA-N
XLogP4.31
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.93
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1-methyl-6-[[5-[(4-oxo-1-pyridinyl)methyl]imidazol-1-yl]methyl]quinolin-2-one?
The IUPAC name of 4-(3-chlorophenyl)-1-methyl-6-[[5-[(4-oxo-1-pyridinyl)methyl]imidazol-1-yl]methyl]quinolin-2-one (CID 23646773) is 4-(3-chlorophenyl)-1-methyl-6-[[5-[(4-oxo-1-pyridinyl)methyl]imidazol-1-yl]methyl]quinolin-2-one.
What is the SMILES notation for 4-(3-chlorophenyl)-1-methyl-6-[[5-[(4-oxo-1-pyridinyl)methyl]imidazol-1-yl]methyl]quinolin-2-one?
The canonical SMILES for 4-(3-chlorophenyl)-1-methyl-6-[[5-[(4-oxo-1-pyridinyl)methyl]imidazol-1-yl]methyl]quinolin-2-one is Cn1c(=O)cc(-c2cccc(Cl)c2)c2cc(Cn3cncc3Cn3ccc(=O)cc3)ccc21.
What is the InChIKey of 4-(3-chlorophenyl)-1-methyl-6-[[5-[(4-oxo-1-pyridinyl)methyl]imidazol-1-yl]methyl]quinolin-2-one?
The InChIKey is IBAVHLSMEQFZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN4O2/c1-29-25-6-5-18(11-24(25)23(13-26(29)33)19-3-2-4-20(27)12-19)15-31-17-28-14-21(31)16-30-9-7-22(32)8-10-30/h2-14,17H,15-16H2,1H3.
What are the key properties of 4-(3-chlorophenyl)-1-methyl-6-[[5-[(4-oxo-1-pyridinyl)methyl]imidazol-1-yl]methyl]quinolin-2-one?
4-(3-chlorophenyl)-1-methyl-6-[[5-[(4-oxo-1-pyridinyl)methyl]imidazol-1-yl]methyl]quinolin-2-one has a molecular weight of 456.93 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1-methyl-6-[[5-[(4-oxo-1-pyridinyl)methyl]imidazol-1-yl]methyl]quinolin-2-one is sourced from PubChem (CID 23646773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).