N-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide

C21H22N2O4 — CID 20968993

IUPACN-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2cnc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C21H22N2O4/c1-25-18-10-14(11-19(26-2)21(18)27-3)8-9-20(24)23-16-12-15-6-4-5-7-17(15)22-13-16/h4-7,10-13H,8-9H2,1-3H3,(H,23,24)
InChIKeyUEFLYENOVPXTIT-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.83
Rot. Bonds7

About N-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide

N-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 20968993) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID20968993
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2cnc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C21H22N2O4/c1-25-18-10-14(11-19(26-2)21(18)27-3)8-9-20(24)23-16-12-15-6-4-5-7-17(15)22-13-16/h4-7,10-13H,8-9H2,1-3H3,(H,23,24)
InChIKeyUEFLYENOVPXTIT-UHFFFAOYSA-N
XLogP3.83
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide (CID 20968993) is N-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)Nc2cnc3ccccc3c2)cc(OC)c1OC.
What is the InChIKey of N-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is UEFLYENOVPXTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-25-18-10-14(11-19(26-2)21(18)27-3)8-9-20(24)23-16-12-15-6-4-5-7-17(15)22-13-16/h4-7,10-13H,8-9H2,1-3H3,(H,23,24).
What are the key properties of N-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide?
N-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 366.42 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 20968993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).