N-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]-2-(2,6-difluorophenyl)acetamide

C34H24Cl2F2N4O2 — CID 23577797

IUPACN-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]-2-(2,6-difluorophenyl)acetamide
SMILESCn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(NC(=O)Cc3c(F)cccc3F)cc(-c3cccc(Cl)c3)c2c1
InChIInChI=1S/C34H24Cl2F2N4O2/c1-42-19-39-18-31(42)34(44,21-8-11-23(35)12-9-21)22-10-13-30-26(15-22)25(20-4-2-5-24(36)14-20)16-32(40-30)41-33(43)17-27-28(37)6-3-7-29(27)38/h2-16,18-19,44H,17H2,1H3,(H,40,41,43)
InChIKeyFVAQESKKZRMORN-UHFFFAOYSA-N
MW629.49 g/mol
LogP7.69
Rot. Bonds7

About N-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]-2-(2,6-difluorophenyl)acetamide

N-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]-2-(2,6-difluorophenyl)acetamide (PubChem CID 23577797) has the molecular formula C34H24Cl2F2N4O2 and a molecular weight of 629.49 g/mol. Its IUPAC name is N-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]-2-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]-2-(2,6-difluorophenyl)acetamide
PubChem CID23577797
Molecular FormulaC34H24Cl2F2N4O2
Molecular Weight629.49 g/mol
Exact Mass628.12
IUPAC NameN-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]-2-(2,6-difluorophenyl)acetamide
SMILESCn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(NC(=O)Cc3c(F)cccc3F)cc(-c3cccc(Cl)c3)c2c1
InChIInChI=1S/C34H24Cl2F2N4O2/c1-42-19-39-18-31(42)34(44,21-8-11-23(35)12-9-21)22-10-13-30-26(15-22)25(20-4-2-5-24(36)14-20)16-32(40-30)41-33(43)17-27-28(37)6-3-7-29(27)38/h2-16,18-19,44H,17H2,1H3,(H,40,41,43)
InChIKeyFVAQESKKZRMORN-UHFFFAOYSA-N
XLogP7.69
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.49
LogP ≤ 57.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-Dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-quinolin-4-ylmethanol
CID 117869728
4-(3-Chloro-phenyl)-6-[(4-chloro-phenyl)-hydroxy-(3-methyl-3H-imidazol-4-yl)-methyl]-1H-quinolin-2-one
CID 44357811
(3-Benzyl-2,4-dichloroquinolin-6-yl)(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methanol
CID 74221196
(4-Chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol
CID 74222808
(4-Chlorophenyl)(1-methyl-1H-imidazol-5-yl)(3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl)methanol
CID 86716130
(4-Chlorophenyl)(2,4-dichloro-3-phenylquinolin-6-yl)(1-methyl-1H-imidazol-5-yl)methanol
CID 90100965
(4-Chlorophenyl)-[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol
CID 91669190
(2,4-Dichloro-3-phenylquinolin-6-yl)(1-methyl-1H-imidazol-5-yl) [6-(trifluoromethyl) pyridin-3-yl]methanol
CID 117868534
4-Chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenylquinoline-2-carbonitrile
CID 117868722
(4-Chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-ethylimidazol-4-yl)methanol
CID 117869398
6-[(4-Chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenylquinoline-2,4-dicarbonitrile
CID 117869438
(2,4-Dichloro-3-phenylquinolin-6-yl)-(2-fluoro-4-pyridinyl)-(3-methylimidazol-4-yl)methanol
CID 117869607

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]-2-(2,6-difluorophenyl)acetamide?
The IUPAC name of N-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]-2-(2,6-difluorophenyl)acetamide (CID 23577797) is N-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]-2-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for N-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]-2-(2,6-difluorophenyl)acetamide?
The canonical SMILES for N-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]-2-(2,6-difluorophenyl)acetamide is Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(NC(=O)Cc3c(F)cccc3F)cc(-c3cccc(Cl)c3)c2c1.
What is the InChIKey of N-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]-2-(2,6-difluorophenyl)acetamide?
The InChIKey is FVAQESKKZRMORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24Cl2F2N4O2/c1-42-19-39-18-31(42)34(44,21-8-11-23(35)12-9-21)22-10-13-30-26(15-22)25(20-4-2-5-24(36)14-20)16-32(40-30)41-33(43)17-27-28(37)6-3-7-29(27)38/h2-16,18-19,44H,17H2,1H3,(H,40,41,43).
What are the key properties of N-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]-2-(2,6-difluorophenyl)acetamide?
N-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]-2-(2,6-difluorophenyl)acetamide has a molecular weight of 629.49 g/mol, XLogP of 7.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]-2-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 23577797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).