4-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxy-(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide

C34H30ClN5O3 — CID 163427671

IUPAC4-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxy-(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCN1CNC=C1C(O)(c1ccc(C(=O)NCc2ccccn2)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C
InChIInChI=1S/C34H30ClN5O3/c1-39-21-36-20-31(39)34(43,24-11-9-22(10-12-24)33(42)38-19-27-8-3-4-15-37-27)25-13-14-30-29(17-25)28(18-32(41)40(30)2)23-6-5-7-26(35)16-23/h3-18,20,36,43H,19,21H2,1-2H3,(H,38,42)
InChIKeyANXMPRZVYDSYBX-UHFFFAOYSA-N
MW592.10 g/mol
LogP4.75
Rot. Bonds7

About 4-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxy-(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide

4-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxy-(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 163427671) has the molecular formula C34H30ClN5O3 and a molecular weight of 592.10 g/mol. Its IUPAC name is 4-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxy-(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxy-(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID163427671
Molecular FormulaC34H30ClN5O3
Molecular Weight592.10 g/mol
Exact Mass591.20
IUPAC Name4-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxy-(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCN1CNC=C1C(O)(c1ccc(C(=O)NCc2ccccn2)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C
InChIInChI=1S/C34H30ClN5O3/c1-39-21-36-20-31(39)34(43,24-11-9-22(10-12-24)33(42)38-19-27-8-3-4-15-37-27)25-13-14-30-29(17-25)28(18-32(41)40(30)2)23-6-5-7-26(35)16-23/h3-18,20,36,43H,19,21H2,1-2H3,(H,38,42)
InChIKeyANXMPRZVYDSYBX-UHFFFAOYSA-N
XLogP4.75
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.10
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxy-(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxy-(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide (CID 163427671) is 4-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxy-(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxy-(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxy-(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide is CN1CNC=C1C(O)(c1ccc(C(=O)NCc2ccccn2)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C.
What is the InChIKey of 4-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxy-(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is ANXMPRZVYDSYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30ClN5O3/c1-39-21-36-20-31(39)34(43,24-11-9-22(10-12-24)33(42)38-19-27-8-3-4-15-37-27)25-13-14-30-29(17-25)28(18-32(41)40(30)2)23-6-5-7-26(35)16-23/h3-18,20,36,43H,19,21H2,1-2H3,(H,38,42).
What are the key properties of 4-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxy-(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide?
4-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxy-(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 592.10 g/mol, XLogP of 4.75, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxy-(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 163427671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).