N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide

C26H32N4O2 — CID 22421743

IUPACN-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide
SMILESCCN1CCN(c2cc(C)c3cc(NC(=O)CCc4ccc(OC)cc4)ccc3n2)CC1
InChIInChI=1S/C26H32N4O2/c1-4-29-13-15-30(16-14-29)25-17-19(2)23-18-21(8-11-24(23)28-25)27-26(31)12-7-20-5-9-22(32-3)10-6-20/h5-6,8-11,17-18H,4,7,12-16H2,1-3H3,(H,27,31)
InChIKeyWKMSGMMIFOIUKL-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.27
Rot. Bonds7

About N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide

N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide (PubChem CID 22421743) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide
PubChem CID22421743
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide
SMILESCCN1CCN(c2cc(C)c3cc(NC(=O)CCc4ccc(OC)cc4)ccc3n2)CC1
InChIInChI=1S/C26H32N4O2/c1-4-29-13-15-30(16-14-29)25-17-19(2)23-18-21(8-11-24(23)28-25)27-26(31)12-7-20-5-9-22(32-3)10-6-20/h5-6,8-11,17-18H,4,7,12-16H2,1-3H3,(H,27,31)
InChIKeyWKMSGMMIFOIUKL-UHFFFAOYSA-N
XLogP4.27
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide (CID 22421743) is N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide is CCN1CCN(c2cc(C)c3cc(NC(=O)CCc4ccc(OC)cc4)ccc3n2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is WKMSGMMIFOIUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-4-29-13-15-30(16-14-29)25-17-19(2)23-18-21(8-11-24(23)28-25)27-26(31)12-7-20-5-9-22(32-3)10-6-20/h5-6,8-11,17-18H,4,7,12-16H2,1-3H3,(H,27,31).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide?
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 432.57 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 22421743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).