N-[3-(3,4-dimethoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-methylbutanamide

C23H26N2O4 — CID 4904795

IUPACN-[3-(3,4-dimethoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-methylbutanamide
SMILESCOc1ccc(-c2c(NC(=O)CC(C)C)n(C)c3ccccc3c2=O)cc1OC
InChIInChI=1S/C23H26N2O4/c1-14(2)12-20(26)24-23-21(15-10-11-18(28-4)19(13-15)29-5)22(27)16-8-6-7-9-17(16)25(23)3/h6-11,13-14H,12H2,1-5H3,(H,24,26)
InChIKeyDJRPVUWWJXZIBR-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.21
Rot. Bonds6

About N-[3-(3,4-dimethoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-methylbutanamide

N-[3-(3,4-dimethoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-methylbutanamide (PubChem CID 4904795) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-methylbutanamide
PubChem CID4904795
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-[3-(3,4-dimethoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-methylbutanamide
SMILESCOc1ccc(-c2c(NC(=O)CC(C)C)n(C)c3ccccc3c2=O)cc1OC
InChIInChI=1S/C23H26N2O4/c1-14(2)12-20(26)24-23-21(15-10-11-18(28-4)19(13-15)29-5)22(27)16-8-6-7-9-17(16)25(23)3/h6-11,13-14H,12H2,1-5H3,(H,24,26)
InChIKeyDJRPVUWWJXZIBR-UHFFFAOYSA-N
XLogP4.21
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-methylbutanamide?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-methylbutanamide (CID 4904795) is N-[3-(3,4-dimethoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-methylbutanamide.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-methylbutanamide?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-methylbutanamide is COc1ccc(-c2c(NC(=O)CC(C)C)n(C)c3ccccc3c2=O)cc1OC.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-methylbutanamide?
The InChIKey is DJRPVUWWJXZIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-14(2)12-20(26)24-23-21(15-10-11-18(28-4)19(13-15)29-5)22(27)16-8-6-7-9-17(16)25(23)3/h6-11,13-14H,12H2,1-5H3,(H,24,26).
What are the key properties of N-[3-(3,4-dimethoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-methylbutanamide?
N-[3-(3,4-dimethoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-methylbutanamide has a molecular weight of 394.47 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-methylbutanamide is sourced from PubChem (CID 4904795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).