N-[7-bromo-4-[(4-methoxyphenyl)methylamino]quinolin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide;1-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one;7-bromo-4-N-[(4-methoxyphenyl)methyl]quinoline-3,4-diamine

C63H60Br3N11O6 — CID 159803476

IUPACN-[7-bromo-4-[(4-methoxyphenyl)methylamino]quinolin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide;1-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one;7-bromo-4-N-[(4-methoxyphenyl)methyl]quinoline-3,4-diamine
SMILESCOc1ccc(CNc2c(N)cnc3cc(Br)ccc23)cc1.COc1ccc(CNc2c(NC(=O)CN3CCCC3=O)cnc3cc(Br)ccc23)cc1.COc1ccc(Cn2c(CN3CCCC3=O)nc3cnc4cc(Br)ccc4c32)cc1
InChIInChI=1S/C23H23BrN4O3.C23H21BrN4O2.C17H16BrN3O/c1-31-17-7-4-15(5-8-17)12-26-23-18-9-6-16(24)11-19(18)25-13-20(23)27-21(29)14-28-10-2-3-22(28)30;1-30-17-7-4-15(5-8-17)13-28-21(14-27-10-2-3-22(27)29)26-20-12-25-19-11-16(24)6-9-18(19)23(20)28;1-22-13-5-2-11(3-6-13)9-21-17-14-7-4-12(18)8-16(14)20-10-15(17)19/h4-9,11,13H,2-3,10,12,14H2,1H3,(H,25,26)(H,27,29);4-9,11-12H,2-3,10,13-14H2,1H3;2-8,10H,9,19H2,1H3,(H,20,21)
InChIKeyNKBXJDVNLXYZEK-UHFFFAOYSA-N
MW1306.96 g/mol
LogP12.91
Rot. Bonds16

About N-[7-bromo-4-[(4-methoxyphenyl)methylamino]quinolin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide;1-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one;7-bromo-4-N-[(4-methoxyphenyl)methyl]quinoline-3,4-diamine

N-[7-bromo-4-[(4-methoxyphenyl)methylamino]quinolin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide;1-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one;7-bromo-4-N-[(4-methoxyphenyl)methyl]quinoline-3,4-diamine (PubChem CID 159803476) has the molecular formula C63H60Br3N11O6 and a molecular weight of 1306.96 g/mol. Its IUPAC name is N-[7-bromo-4-[(4-methoxyphenyl)methylamino]quinolin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide;1-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one;7-bromo-4-N-[(4-methoxyphenyl)methyl]quinoline-3,4-diamine.

Molecular Properties

Compound NameN-[7-bromo-4-[(4-methoxyphenyl)methylamino]quinolin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide;1-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one;7-bromo-4-N-[(4-methoxyphenyl)methyl]quinoline-3,4-diamine
PubChem CID159803476
Molecular FormulaC63H60Br3N11O6
Molecular Weight1306.96 g/mol
Exact Mass1303.23
IUPAC NameN-[7-bromo-4-[(4-methoxyphenyl)methylamino]quinolin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide;1-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one;7-bromo-4-N-[(4-methoxyphenyl)methyl]quinoline-3,4-diamine
SMILESCOc1ccc(CNc2c(N)cnc3cc(Br)ccc23)cc1.COc1ccc(CNc2c(NC(=O)CN3CCCC3=O)cnc3cc(Br)ccc23)cc1.COc1ccc(Cn2c(CN3CCCC3=O)nc3cnc4cc(Br)ccc4c32)cc1
InChIInChI=1S/C23H23BrN4O3.C23H21BrN4O2.C17H16BrN3O/c1-31-17-7-4-15(5-8-17)12-26-23-18-9-6-16(24)11-19(18)25-13-20(23)27-21(29)14-28-10-2-3-22(28)30;1-30-17-7-4-15(5-8-17)13-28-21(14-27-10-2-3-22(27)29)26-20-12-25-19-11-16(24)6-9-18(19)23(20)28;1-22-13-5-2-11(3-6-13)9-21-17-14-7-4-12(18)8-16(14)20-10-15(17)19/h4-9,11,13H,2-3,10,12,14H2,1H3,(H,25,26)(H,27,29);4-9,11-12H,2-3,10,13-14H2,1H3;2-8,10H,9,19H2,1H3,(H,20,21)
InChIKeyNKBXJDVNLXYZEK-UHFFFAOYSA-N
XLogP12.91
TPSA203.98 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001306.96
LogP ≤ 512.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze N-[7-bromo-4-[(4-methoxyphenyl)methylamino]quinolin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide;1-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one;7-bromo-4-N-[(4-methoxyphenyl)methyl]quinoline-3,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[7-bromo-4-[(4-methoxyphenyl)methylamino]quinolin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide;1-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one;7-bromo-4-N-[(4-methoxyphenyl)methyl]quinoline-3,4-diamine?
The IUPAC name of N-[7-bromo-4-[(4-methoxyphenyl)methylamino]quinolin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide;1-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one;7-bromo-4-N-[(4-methoxyphenyl)methyl]quinoline-3,4-diamine (CID 159803476) is N-[7-bromo-4-[(4-methoxyphenyl)methylamino]quinolin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide;1-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one;7-bromo-4-N-[(4-methoxyphenyl)methyl]quinoline-3,4-diamine.
What is the SMILES notation for N-[7-bromo-4-[(4-methoxyphenyl)methylamino]quinolin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide;1-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one;7-bromo-4-N-[(4-methoxyphenyl)methyl]quinoline-3,4-diamine?
The canonical SMILES for N-[7-bromo-4-[(4-methoxyphenyl)methylamino]quinolin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide;1-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one;7-bromo-4-N-[(4-methoxyphenyl)methyl]quinoline-3,4-diamine is COc1ccc(CNc2c(N)cnc3cc(Br)ccc23)cc1.COc1ccc(CNc2c(NC(=O)CN3CCCC3=O)cnc3cc(Br)ccc23)cc1.COc1ccc(Cn2c(CN3CCCC3=O)nc3cnc4cc(Br)ccc4c32)cc1.
What is the InChIKey of N-[7-bromo-4-[(4-methoxyphenyl)methylamino]quinolin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide;1-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one;7-bromo-4-N-[(4-methoxyphenyl)methyl]quinoline-3,4-diamine?
The InChIKey is NKBXJDVNLXYZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN4O3.C23H21BrN4O2.C17H16BrN3O/c1-31-17-7-4-15(5-8-17)12-26-23-18-9-6-16(24)11-19(18)25-13-20(23)27-21(29)14-28-10-2-3-22(28)30;1-30-17-7-4-15(5-8-17)13-28-21(14-27-10-2-3-22(27)29)26-20-12-25-19-11-16(24)6-9-18(19)23(20)28;1-22-13-5-2-11(3-6-13)9-21-17-14-7-4-12(18)8-16(14)20-10-15(17)19/h4-9,11,13H,2-3,10,12,14H2,1H3,(H,25,26)(H,27,29);4-9,11-12H,2-3,10,13-14H2,1H3;2-8,10H,9,19H2,1H3,(H,20,21).
What are the key properties of N-[7-bromo-4-[(4-methoxyphenyl)methylamino]quinolin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide;1-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one;7-bromo-4-N-[(4-methoxyphenyl)methyl]quinoline-3,4-diamine?
N-[7-bromo-4-[(4-methoxyphenyl)methylamino]quinolin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide;1-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one;7-bromo-4-N-[(4-methoxyphenyl)methyl]quinoline-3,4-diamine has a molecular weight of 1306.96 g/mol, XLogP of 12.91, 16 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-bromo-4-[(4-methoxyphenyl)methylamino]quinolin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide;1-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one;7-bromo-4-N-[(4-methoxyphenyl)methyl]quinoline-3,4-diamine is sourced from PubChem (CID 159803476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).