1-ethyl-6-[3-methyl-5-(4-methylphenyl)-2-oxoimidazol-1-yl]-4-(oxocan-4-yl)quinolin-2-one

C29H33N3O3 — CID 135200669

IUPAC1-ethyl-6-[3-methyl-5-(4-methylphenyl)-2-oxoimidazol-1-yl]-4-(oxocan-4-yl)quinolin-2-one
SMILESCCn1c(=O)cc(C2CCCCOCC2)c2cc(-n3c(-c4ccc(C)cc4)cn(C)c3=O)ccc21
InChIInChI=1S/C29H33N3O3/c1-4-31-26-13-12-23(32-27(19-30(3)29(32)34)22-10-8-20(2)9-11-22)17-25(26)24(18-28(31)33)21-7-5-6-15-35-16-14-21/h8-13,17-19,21H,4-7,14-16H2,1-3H3
InChIKeyBBLGRXRCLZPANI-UHFFFAOYSA-N
MW471.60 g/mol
LogP5.16
Rot. Bonds4

About 1-ethyl-6-[3-methyl-5-(4-methylphenyl)-2-oxoimidazol-1-yl]-4-(oxocan-4-yl)quinolin-2-one

1-ethyl-6-[3-methyl-5-(4-methylphenyl)-2-oxoimidazol-1-yl]-4-(oxocan-4-yl)quinolin-2-one (PubChem CID 135200669) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is 1-ethyl-6-[3-methyl-5-(4-methylphenyl)-2-oxoimidazol-1-yl]-4-(oxocan-4-yl)quinolin-2-one.

Molecular Properties

Compound Name1-ethyl-6-[3-methyl-5-(4-methylphenyl)-2-oxoimidazol-1-yl]-4-(oxocan-4-yl)quinolin-2-one
PubChem CID135200669
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC Name1-ethyl-6-[3-methyl-5-(4-methylphenyl)-2-oxoimidazol-1-yl]-4-(oxocan-4-yl)quinolin-2-one
SMILESCCn1c(=O)cc(C2CCCCOCC2)c2cc(-n3c(-c4ccc(C)cc4)cn(C)c3=O)ccc21
InChIInChI=1S/C29H33N3O3/c1-4-31-26-13-12-23(32-27(19-30(3)29(32)34)22-10-8-20(2)9-11-22)17-25(26)24(18-28(31)33)21-7-5-6-15-35-16-14-21/h8-13,17-19,21H,4-7,14-16H2,1-3H3
InChIKeyBBLGRXRCLZPANI-UHFFFAOYSA-N
XLogP5.16
TPSA58.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-[3-methyl-5-(4-methylphenyl)-2-oxoimidazol-1-yl]-4-(oxocan-4-yl)quinolin-2-one?
The IUPAC name of 1-ethyl-6-[3-methyl-5-(4-methylphenyl)-2-oxoimidazol-1-yl]-4-(oxocan-4-yl)quinolin-2-one (CID 135200669) is 1-ethyl-6-[3-methyl-5-(4-methylphenyl)-2-oxoimidazol-1-yl]-4-(oxocan-4-yl)quinolin-2-one.
What is the SMILES notation for 1-ethyl-6-[3-methyl-5-(4-methylphenyl)-2-oxoimidazol-1-yl]-4-(oxocan-4-yl)quinolin-2-one?
The canonical SMILES for 1-ethyl-6-[3-methyl-5-(4-methylphenyl)-2-oxoimidazol-1-yl]-4-(oxocan-4-yl)quinolin-2-one is CCn1c(=O)cc(C2CCCCOCC2)c2cc(-n3c(-c4ccc(C)cc4)cn(C)c3=O)ccc21.
What is the InChIKey of 1-ethyl-6-[3-methyl-5-(4-methylphenyl)-2-oxoimidazol-1-yl]-4-(oxocan-4-yl)quinolin-2-one?
The InChIKey is BBLGRXRCLZPANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-4-31-26-13-12-23(32-27(19-30(3)29(32)34)22-10-8-20(2)9-11-22)17-25(26)24(18-28(31)33)21-7-5-6-15-35-16-14-21/h8-13,17-19,21H,4-7,14-16H2,1-3H3.
What are the key properties of 1-ethyl-6-[3-methyl-5-(4-methylphenyl)-2-oxoimidazol-1-yl]-4-(oxocan-4-yl)quinolin-2-one?
1-ethyl-6-[3-methyl-5-(4-methylphenyl)-2-oxoimidazol-1-yl]-4-(oxocan-4-yl)quinolin-2-one has a molecular weight of 471.60 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-[3-methyl-5-(4-methylphenyl)-2-oxoimidazol-1-yl]-4-(oxocan-4-yl)quinolin-2-one is sourced from PubChem (CID 135200669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).