N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide

C23H26N2O4 — CID 110389997

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
SMILESCOc1ccc(CCNC(=O)CCc2ccc3cc(C)c(=O)[nH]c3c2)cc1OC
InChIInChI=1S/C23H26N2O4/c1-15-12-18-7-4-16(13-19(18)25-23(15)27)6-9-22(26)24-11-10-17-5-8-20(28-2)21(14-17)29-3/h4-5,7-8,12-14H,6,9-11H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyIKOZSQFQSOBOFA-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.15
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide (PubChem CID 110389997) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
PubChem CID110389997
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
SMILESCOc1ccc(CCNC(=O)CCc2ccc3cc(C)c(=O)[nH]c3c2)cc1OC
InChIInChI=1S/C23H26N2O4/c1-15-12-18-7-4-16(13-19(18)25-23(15)27)6-9-22(26)24-11-10-17-5-8-20(28-2)21(14-17)29-3/h4-5,7-8,12-14H,6,9-11H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyIKOZSQFQSOBOFA-UHFFFAOYSA-N
XLogP3.15
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110389986
N-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110389946
3-(3-methyl-2-oxo-1H-quinolin-7-yl)-N-pentylpropanamide
CID 110390014
N-tert-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110390011
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
CID 108574268
N-[2-(4-methoxyphenyl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331176
N-[(3,4-dimethoxyphenyl)methyl]-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
CID 110412926
3-(3,4-dimethoxyphenyl)-N-hexylpropanamide
CID 19220639
3-(3-methyl-2-oxo-1H-quinolin-7-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 110389980
N-(4-chlorophenyl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110390035

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide (CID 110389997) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide is COc1ccc(CCNC(=O)CCc2ccc3cc(C)c(=O)[nH]c3c2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide?
The InChIKey is IKOZSQFQSOBOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-15-12-18-7-4-16(13-19(18)25-23(15)27)6-9-22(26)24-11-10-17-5-8-20(28-2)21(14-17)29-3/h4-5,7-8,12-14H,6,9-11H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide has a molecular weight of 394.47 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide is sourced from PubChem (CID 110389997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).