6-amino-4-methyl-1H-quinolin-2-one;bis(3-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide);3-bromopyridine-4-carboxylic acid;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-3-pyrrolidin-1-ylpyridine-4-carboxamide;pyrrolidine

C72H67Br3N14O9 — CID 160761058

IUPAC6-amino-4-methyl-1H-quinolin-2-one;bis(3-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide);3-bromopyridine-4-carboxylic acid;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-3-pyrrolidin-1-ylpyridine-4-carboxamide;pyrrolidine
SMILESC1CCNC1.Cc1cc(=O)[nH]c2ccc(N)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3ccncc3Br)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3ccncc3Br)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3ccncc3N3CCCC3)cc12.O=C(O)c1ccncc1Br
InChIInChI=1S/C20H20N4O2.2C16H12BrN3O2.C10H10N2O.C6H4BrNO2.C4H9N/c1-13-10-19(25)23-17-5-4-14(11-16(13)17)22-20(26)15-6-7-21-12-18(15)24-8-2-3-9-24;2*1-9-6-15(21)20-14-3-2-10(7-12(9)14)19-16(22)11-4-5-18-8-13(11)17;1-6-4-10(13)12-9-3-2-7(11)5-8(6)9;7-5-3-8-2-1-4(5)6(9)10;1-2-4-5-3-1/h4-7,10-12H,2-3,8-9H2,1H3,(H,22,26)(H,23,25);2*2-8H,1H3,(H,19,22)(H,20,21);2-5H,11H2,1H3,(H,12,13);1-3H,(H,9,10);5H,1-4H2
InChIKeyRYBNDZHEGSQFRE-UHFFFAOYSA-N
MW1512.13 g/mol
LogP12.91
Rot. Bonds8

About 6-amino-4-methyl-1H-quinolin-2-one;bis(3-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide);3-bromopyridine-4-carboxylic acid;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-3-pyrrolidin-1-ylpyridine-4-carboxamide;pyrrolidine

6-amino-4-methyl-1H-quinolin-2-one;bis(3-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide);3-bromopyridine-4-carboxylic acid;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-3-pyrrolidin-1-ylpyridine-4-carboxamide;pyrrolidine (PubChem CID 160761058) has the molecular formula C72H67Br3N14O9 and a molecular weight of 1512.13 g/mol. Its IUPAC name is 6-amino-4-methyl-1H-quinolin-2-one;bis(3-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide);3-bromopyridine-4-carboxylic acid;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-3-pyrrolidin-1-ylpyridine-4-carboxamide;pyrrolidine.

Molecular Properties

Compound Name6-amino-4-methyl-1H-quinolin-2-one;bis(3-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide);3-bromopyridine-4-carboxylic acid;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-3-pyrrolidin-1-ylpyridine-4-carboxamide;pyrrolidine
PubChem CID160761058
Molecular FormulaC72H67Br3N14O9
Molecular Weight1512.13 g/mol
Exact Mass1508.28
IUPAC Name6-amino-4-methyl-1H-quinolin-2-one;bis(3-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide);3-bromopyridine-4-carboxylic acid;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-3-pyrrolidin-1-ylpyridine-4-carboxamide;pyrrolidine
SMILESC1CCNC1.Cc1cc(=O)[nH]c2ccc(N)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3ccncc3Br)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3ccncc3Br)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3ccncc3N3CCCC3)cc12.O=C(O)c1ccncc1Br
InChIInChI=1S/C20H20N4O2.2C16H12BrN3O2.C10H10N2O.C6H4BrNO2.C4H9N/c1-13-10-19(25)23-17-5-4-14(11-16(13)17)22-20(26)15-6-7-21-12-18(15)24-8-2-3-9-24;2*1-9-6-15(21)20-14-3-2-10(7-12(9)14)19-16(22)11-4-5-18-8-13(11)17;1-6-4-10(13)12-9-3-2-7(11)5-8(6)9;7-5-3-8-2-1-4(5)6(9)10;1-2-4-5-3-1/h4-7,10-12H,2-3,8-9H2,1H3,(H,22,26)(H,23,25);2*2-8H,1H3,(H,19,22)(H,20,21);2-5H,11H2,1H3,(H,12,13);1-3H,(H,9,10);5H,1-4H2
InChIKeyRYBNDZHEGSQFRE-UHFFFAOYSA-N
XLogP12.91
TPSA348.89 Ų
H-Bond Donors10
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001512.13
LogP ≤ 512.91
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-amino-4-methyl-1H-quinolin-2-one;bis(3-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide);3-bromopyridine-4-carboxylic acid;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-3-pyrrolidin-1-ylpyridine-4-carboxamide;pyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methyl-1H-quinolin-2-one;bis(3-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide);3-bromopyridine-4-carboxylic acid;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-3-pyrrolidin-1-ylpyridine-4-carboxamide;pyrrolidine?
The IUPAC name of 6-amino-4-methyl-1H-quinolin-2-one;bis(3-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide);3-bromopyridine-4-carboxylic acid;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-3-pyrrolidin-1-ylpyridine-4-carboxamide;pyrrolidine (CID 160761058) is 6-amino-4-methyl-1H-quinolin-2-one;bis(3-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide);3-bromopyridine-4-carboxylic acid;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-3-pyrrolidin-1-ylpyridine-4-carboxamide;pyrrolidine.
What is the SMILES notation for 6-amino-4-methyl-1H-quinolin-2-one;bis(3-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide);3-bromopyridine-4-carboxylic acid;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-3-pyrrolidin-1-ylpyridine-4-carboxamide;pyrrolidine?
The canonical SMILES for 6-amino-4-methyl-1H-quinolin-2-one;bis(3-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide);3-bromopyridine-4-carboxylic acid;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-3-pyrrolidin-1-ylpyridine-4-carboxamide;pyrrolidine is C1CCNC1.Cc1cc(=O)[nH]c2ccc(N)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3ccncc3Br)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3ccncc3Br)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3ccncc3N3CCCC3)cc12.O=C(O)c1ccncc1Br.
What is the InChIKey of 6-amino-4-methyl-1H-quinolin-2-one;bis(3-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide);3-bromopyridine-4-carboxylic acid;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-3-pyrrolidin-1-ylpyridine-4-carboxamide;pyrrolidine?
The InChIKey is RYBNDZHEGSQFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2.2C16H12BrN3O2.C10H10N2O.C6H4BrNO2.C4H9N/c1-13-10-19(25)23-17-5-4-14(11-16(13)17)22-20(26)15-6-7-21-12-18(15)24-8-2-3-9-24;2*1-9-6-15(21)20-14-3-2-10(7-12(9)14)19-16(22)11-4-5-18-8-13(11)17;1-6-4-10(13)12-9-3-2-7(11)5-8(6)9;7-5-3-8-2-1-4(5)6(9)10;1-2-4-5-3-1/h4-7,10-12H,2-3,8-9H2,1H3,(H,22,26)(H,23,25);2*2-8H,1H3,(H,19,22)(H,20,21);2-5H,11H2,1H3,(H,12,13);1-3H,(H,9,10);5H,1-4H2.
What are the key properties of 6-amino-4-methyl-1H-quinolin-2-one;bis(3-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide);3-bromopyridine-4-carboxylic acid;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-3-pyrrolidin-1-ylpyridine-4-carboxamide;pyrrolidine?
6-amino-4-methyl-1H-quinolin-2-one;bis(3-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide);3-bromopyridine-4-carboxylic acid;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-3-pyrrolidin-1-ylpyridine-4-carboxamide;pyrrolidine has a molecular weight of 1512.13 g/mol, XLogP of 12.91, 8 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methyl-1H-quinolin-2-one;bis(3-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide);3-bromopyridine-4-carboxylic acid;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-3-pyrrolidin-1-ylpyridine-4-carboxamide;pyrrolidine is sourced from PubChem (CID 160761058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).