(8-chloro-2-pyridin-2-ylquinolin-3-yl)methanamine;2-[(8-chloro-2-pyridin-2-ylquinolin-3-yl)methylcarbamoyl]benzoic acid;2-[(8-chloro-2-pyridin-2-ylquinolin-3-yl)methyl]isoindole-1,3-dione;2-[(2,8-dichloroquinolin-3-yl)methyl]isoindole-1,3-dione

C79H52Cl5N11O7 — CID 158096763

IUPAC(8-chloro-2-pyridin-2-ylquinolin-3-yl)methanamine;2-[(8-chloro-2-pyridin-2-ylquinolin-3-yl)methylcarbamoyl]benzoic acid;2-[(8-chloro-2-pyridin-2-ylquinolin-3-yl)methyl]isoindole-1,3-dione;2-[(2,8-dichloroquinolin-3-yl)methyl]isoindole-1,3-dione
SMILESNCc1cc2cccc(Cl)c2nc1-c1ccccn1.O=C(O)c1ccccc1C(=O)NCc1cc2cccc(Cl)c2nc1-c1ccccn1.O=C1c2ccccc2C(=O)N1Cc1cc2cccc(Cl)c2nc1-c1ccccn1.O=C1c2ccccc2C(=O)N1Cc1cc2cccc(Cl)c2nc1Cl
InChIInChI=1S/C23H16ClN3O3.C23H14ClN3O2.C18H10Cl2N2O2.C15H12ClN3/c24-18-9-5-6-14-12-15(21(27-20(14)18)19-10-3-4-11-25-19)13-26-22(28)16-7-1-2-8-17(16)23(29)30;24-18-9-5-6-14-12-15(21(26-20(14)18)19-10-3-4-11-25-19)13-27-22(28)16-7-1-2-8-17(16)23(27)29;19-14-7-3-4-10-8-11(16(20)21-15(10)14)9-22-17(23)12-5-1-2-6-13(12)18(22)24;16-12-5-3-4-10-8-11(9-17)15(19-14(10)12)13-6-1-2-7-18-13/h1-12H,13H2,(H,26,28)(H,29,30);1-12H,13H2;1-8H,9H2;1-8H,9,17H2
InChIKeyFOTLKBZBBSXKHV-UHFFFAOYSA-N
MW1444.62 g/mol
LogP17.07
Rot. Bonds12

About (8-chloro-2-pyridin-2-ylquinolin-3-yl)methanamine;2-[(8-chloro-2-pyridin-2-ylquinolin-3-yl)methylcarbamoyl]benzoic acid;2-[(8-chloro-2-pyridin-2-ylquinolin-3-yl)methyl]isoindole-1,3-dione;2-[(2,8-dichloroquinolin-3-yl)methyl]isoindole-1,3-dione

(8-chloro-2-pyridin-2-ylquinolin-3-yl)methanamine;2-[(8-chloro-2-pyridin-2-ylquinolin-3-yl)methylcarbamoyl]benzoic acid;2-[(8-chloro-2-pyridin-2-ylquinolin-3-yl)methyl]isoindole-1,3-dione;2-[(2,8-dichloroquinolin-3-yl)methyl]isoindole-1,3-dione (PubChem CID 158096763) has the molecular formula C79H52Cl5N11O7 and a molecular weight of 1444.62 g/mol. Its IUPAC name is (8-chloro-2-pyridin-2-ylquinolin-3-yl)methanamine;2-[(8-chloro-2-pyridin-2-ylquinolin-3-yl)methylcarbamoyl]benzoic acid;2-[(8-chloro-2-pyridin-2-ylquinolin-3-yl)methyl]isoindole-1,3-dione;2-[(2,8-dichloroquinolin-3-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name(8-chloro-2-pyridin-2-ylquinolin-3-yl)methanamine;2-[(8-chloro-2-pyridin-2-ylquinolin-3-yl)methylcarbamoyl]benzoic acid;2-[(8-chloro-2-pyridin-2-ylquinolin-3-yl)methyl]isoindole-1,3-dione;2-[(2,8-dichloroquinolin-3-yl)methyl]isoindole-1,3-dione
PubChem CID158096763
Molecular FormulaC79H52Cl5N11O7
Molecular Weight1444.62 g/mol
Exact Mass1441.25
IUPAC Name(8-chloro-2-pyridin-2-ylquinolin-3-yl)methanamine;2-[(8-chloro-2-pyridin-2-ylquinolin-3-yl)methylcarbamoyl]benzoic acid;2-[(8-chloro-2-pyridin-2-ylquinolin-3-yl)methyl]isoindole-1,3-dione;2-[(2,8-dichloroquinolin-3-yl)methyl]isoindole-1,3-dione
SMILESNCc1cc2cccc(Cl)c2nc1-c1ccccn1.O=C(O)c1ccccc1C(=O)NCc1cc2cccc(Cl)c2nc1-c1ccccn1.O=C1c2ccccc2C(=O)N1Cc1cc2cccc(Cl)c2nc1-c1ccccn1.O=C1c2ccccc2C(=O)N1Cc1cc2cccc(Cl)c2nc1Cl
InChIInChI=1S/C23H16ClN3O3.C23H14ClN3O2.C18H10Cl2N2O2.C15H12ClN3/c24-18-9-5-6-14-12-15(21(27-20(14)18)19-10-3-4-11-25-19)13-26-22(28)16-7-1-2-8-17(16)23(29)30;24-18-9-5-6-14-12-15(21(26-20(14)18)19-10-3-4-11-25-19)13-27-22(28)16-7-1-2-8-17(16)23(27)29;19-14-7-3-4-10-8-11(16(20)21-15(10)14)9-22-17(23)12-5-1-2-6-13(12)18(22)24;16-12-5-3-4-10-8-11(9-17)15(19-14(10)12)13-6-1-2-7-18-13/h1-12H,13H2,(H,26,28)(H,29,30);1-12H,13H2;1-8H,9H2;1-8H,9,17H2
InChIKeyFOTLKBZBBSXKHV-UHFFFAOYSA-N
XLogP17.07
TPSA257.41 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001444.62
LogP ≤ 517.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (8-chloro-2-pyridin-2-ylquinolin-3-yl)methanamine;2-[(8-chloro-2-pyridin-2-ylquinolin-3-yl)methylcarbamoyl]benzoic acid;2-[(8-chloro-2-pyridin-2-ylquinolin-3-yl)methyl]isoindole-1,3-dione;2-[(2,8-dichloroquinolin-3-yl)methyl]isoindole-1,3-dione 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 (8-chloro-2-pyridin-2-ylquinolin-3-yl)methanamine;2-[(8-chloro-2-pyridin-2-ylquinolin-3-yl)methylcarbamoyl]benzoic acid;2-[(8-chloro-2-pyridin-2-ylquinolin-3-yl)methyl]isoindole-1,3-dione;2-[(2,8-dichloroquinolin-3-yl)methyl]isoindole-1,3-dione?
The IUPAC name of (8-chloro-2-pyridin-2-ylquinolin-3-yl)methanamine;2-[(8-chloro-2-pyridin-2-ylquinolin-3-yl)methylcarbamoyl]benzoic acid;2-[(8-chloro-2-pyridin-2-ylquinolin-3-yl)methyl]isoindole-1,3-dione;2-[(2,8-dichloroquinolin-3-yl)methyl]isoindole-1,3-dione (CID 158096763) is (8-chloro-2-pyridin-2-ylquinolin-3-yl)methanamine;2-[(8-chloro-2-pyridin-2-ylquinolin-3-yl)methylcarbamoyl]benzoic acid;2-[(8-chloro-2-pyridin-2-ylquinolin-3-yl)methyl]isoindole-1,3-dione;2-[(2,8-dichloroquinolin-3-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for (8-chloro-2-pyridin-2-ylquinolin-3-yl)methanamine;2-[(8-chloro-2-pyridin-2-ylquinolin-3-yl)methylcarbamoyl]benzoic acid;2-[(8-chloro-2-pyridin-2-ylquinolin-3-yl)methyl]isoindole-1,3-dione;2-[(2,8-dichloroquinolin-3-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for (8-chloro-2-pyridin-2-ylquinolin-3-yl)methanamine;2-[(8-chloro-2-pyridin-2-ylquinolin-3-yl)methylcarbamoyl]benzoic acid;2-[(8-chloro-2-pyridin-2-ylquinolin-3-yl)methyl]isoindole-1,3-dione;2-[(2,8-dichloroquinolin-3-yl)methyl]isoindole-1,3-dione is NCc1cc2cccc(Cl)c2nc1-c1ccccn1.O=C(O)c1ccccc1C(=O)NCc1cc2cccc(Cl)c2nc1-c1ccccn1.O=C1c2ccccc2C(=O)N1Cc1cc2cccc(Cl)c2nc1-c1ccccn1.O=C1c2ccccc2C(=O)N1Cc1cc2cccc(Cl)c2nc1Cl.
What is the InChIKey of (8-chloro-2-pyridin-2-ylquinolin-3-yl)methanamine;2-[(8-chloro-2-pyridin-2-ylquinolin-3-yl)methylcarbamoyl]benzoic acid;2-[(8-chloro-2-pyridin-2-ylquinolin-3-yl)methyl]isoindole-1,3-dione;2-[(2,8-dichloroquinolin-3-yl)methyl]isoindole-1,3-dione?
The InChIKey is FOTLKBZBBSXKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3O3.C23H14ClN3O2.C18H10Cl2N2O2.C15H12ClN3/c24-18-9-5-6-14-12-15(21(27-20(14)18)19-10-3-4-11-25-19)13-26-22(28)16-7-1-2-8-17(16)23(29)30;24-18-9-5-6-14-12-15(21(26-20(14)18)19-10-3-4-11-25-19)13-27-22(28)16-7-1-2-8-17(16)23(27)29;19-14-7-3-4-10-8-11(16(20)21-15(10)14)9-22-17(23)12-5-1-2-6-13(12)18(22)24;16-12-5-3-4-10-8-11(9-17)15(19-14(10)12)13-6-1-2-7-18-13/h1-12H,13H2,(H,26,28)(H,29,30);1-12H,13H2;1-8H,9H2;1-8H,9,17H2.
What are the key properties of (8-chloro-2-pyridin-2-ylquinolin-3-yl)methanamine;2-[(8-chloro-2-pyridin-2-ylquinolin-3-yl)methylcarbamoyl]benzoic acid;2-[(8-chloro-2-pyridin-2-ylquinolin-3-yl)methyl]isoindole-1,3-dione;2-[(2,8-dichloroquinolin-3-yl)methyl]isoindole-1,3-dione?
(8-chloro-2-pyridin-2-ylquinolin-3-yl)methanamine;2-[(8-chloro-2-pyridin-2-ylquinolin-3-yl)methylcarbamoyl]benzoic acid;2-[(8-chloro-2-pyridin-2-ylquinolin-3-yl)methyl]isoindole-1,3-dione;2-[(2,8-dichloroquinolin-3-yl)methyl]isoindole-1,3-dione has a molecular weight of 1444.62 g/mol, XLogP of 17.07, 12 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (8-chloro-2-pyridin-2-ylquinolin-3-yl)methanamine;2-[(8-chloro-2-pyridin-2-ylquinolin-3-yl)methylcarbamoyl]benzoic acid;2-[(8-chloro-2-pyridin-2-ylquinolin-3-yl)methyl]isoindole-1,3-dione;2-[(2,8-dichloroquinolin-3-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 158096763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).