6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(2,6-dichlorophenyl)-1H-quinolin-2-one

C26H18Cl3N3O2 — CID 46237265

IUPAC6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(2,6-dichlorophenyl)-1H-quinolin-2-one
SMILESCn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2[nH]c(=O)cc(-c3c(Cl)cccc3Cl)c2c1
InChIInChI=1S/C26H18Cl3N3O2/c1-32-14-30-13-23(32)26(34,15-5-8-17(27)9-6-15)16-7-10-22-18(11-16)19(12-24(33)31-22)25-20(28)3-2-4-21(25)29/h2-14,34H,1H3,(H,31,33)
InChIKeyXPQVVGMFGCKEPG-UHFFFAOYSA-N
MW510.81 g/mol
LogP6.17
Rot. Bonds4

About 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(2,6-dichlorophenyl)-1H-quinolin-2-one

6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(2,6-dichlorophenyl)-1H-quinolin-2-one (PubChem CID 46237265) has the molecular formula C26H18Cl3N3O2 and a molecular weight of 510.81 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(2,6-dichlorophenyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(2,6-dichlorophenyl)-1H-quinolin-2-one
PubChem CID46237265
Molecular FormulaC26H18Cl3N3O2
Molecular Weight510.81 g/mol
Exact Mass509.05
IUPAC Name6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(2,6-dichlorophenyl)-1H-quinolin-2-one
SMILESCn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2[nH]c(=O)cc(-c3c(Cl)cccc3Cl)c2c1
InChIInChI=1S/C26H18Cl3N3O2/c1-32-14-30-13-23(32)26(34,15-5-8-17(27)9-6-15)16-7-10-22-18(11-16)19(12-24(33)31-22)25-20(28)3-2-4-21(25)29/h2-14,34H,1H3,(H,31,33)
InChIKeyXPQVVGMFGCKEPG-UHFFFAOYSA-N
XLogP6.17
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.81
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(2,6-dichlorophenyl)-1H-quinolin-2-one?
The IUPAC name of 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(2,6-dichlorophenyl)-1H-quinolin-2-one (CID 46237265) is 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(2,6-dichlorophenyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(2,6-dichlorophenyl)-1H-quinolin-2-one?
The canonical SMILES for 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(2,6-dichlorophenyl)-1H-quinolin-2-one is Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2[nH]c(=O)cc(-c3c(Cl)cccc3Cl)c2c1.
What is the InChIKey of 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(2,6-dichlorophenyl)-1H-quinolin-2-one?
The InChIKey is XPQVVGMFGCKEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Cl3N3O2/c1-32-14-30-13-23(32)26(34,15-5-8-17(27)9-6-15)16-7-10-22-18(11-16)19(12-24(33)31-22)25-20(28)3-2-4-21(25)29/h2-14,34H,1H3,(H,31,33).
What are the key properties of 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(2,6-dichlorophenyl)-1H-quinolin-2-one?
6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(2,6-dichlorophenyl)-1H-quinolin-2-one has a molecular weight of 510.81 g/mol, XLogP of 6.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(2,6-dichlorophenyl)-1H-quinolin-2-one is sourced from PubChem (CID 46237265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).