N-[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylquinolin-7-yl]-2-methylpropanamide

C26H30N4O3 — CID 53137952

IUPACN-[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylquinolin-7-yl]-2-methylpropanamide
SMILESCOc1ccccc1N1CCN(C(=O)c2cc(NC(=O)C(C)C)cc3nc(C)ccc23)CC1
InChIInChI=1S/C26H30N4O3/c1-17(2)25(31)28-19-15-21(20-10-9-18(3)27-22(20)16-19)26(32)30-13-11-29(12-14-30)23-7-5-6-8-24(23)33-4/h5-10,15-17H,11-14H2,1-4H3,(H,28,31)
InChIKeyHDQQOYFQYLMYAT-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.11
Rot. Bonds5

About N-[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylquinolin-7-yl]-2-methylpropanamide

N-[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylquinolin-7-yl]-2-methylpropanamide (PubChem CID 53137952) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylquinolin-7-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylquinolin-7-yl]-2-methylpropanamide
PubChem CID53137952
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC NameN-[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylquinolin-7-yl]-2-methylpropanamide
SMILESCOc1ccccc1N1CCN(C(=O)c2cc(NC(=O)C(C)C)cc3nc(C)ccc23)CC1
InChIInChI=1S/C26H30N4O3/c1-17(2)25(31)28-19-15-21(20-10-9-18(3)27-22(20)16-19)26(32)30-13-11-29(12-14-30)23-7-5-6-8-24(23)33-4/h5-10,15-17H,11-14H2,1-4H3,(H,28,31)
InChIKeyHDQQOYFQYLMYAT-UHFFFAOYSA-N
XLogP4.11
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylquinolin-7-yl]-2-methylpropanamide?
The IUPAC name of N-[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylquinolin-7-yl]-2-methylpropanamide (CID 53137952) is N-[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylquinolin-7-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylquinolin-7-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylquinolin-7-yl]-2-methylpropanamide is COc1ccccc1N1CCN(C(=O)c2cc(NC(=O)C(C)C)cc3nc(C)ccc23)CC1.
What is the InChIKey of N-[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylquinolin-7-yl]-2-methylpropanamide?
The InChIKey is HDQQOYFQYLMYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-17(2)25(31)28-19-15-21(20-10-9-18(3)27-22(20)16-19)26(32)30-13-11-29(12-14-30)23-7-5-6-8-24(23)33-4/h5-10,15-17H,11-14H2,1-4H3,(H,28,31).
What are the key properties of N-[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylquinolin-7-yl]-2-methylpropanamide?
N-[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylquinolin-7-yl]-2-methylpropanamide has a molecular weight of 446.55 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylquinolin-7-yl]-2-methylpropanamide is sourced from PubChem (CID 53137952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).