2-chloro-8-methoxyquinoline;2-chloro-7-methylquinoline;N-(6-methoxy-3-pyridinyl)-N,6-dimethylquinolin-2-amine;N-(6-methoxy-3-pyridinyl)-6-methylquinolin-2-amine;8-methoxy-N-pyridin-2-ylquinolin-2-amine;7-methyl-N-pyridin-3-ylquinolin-2-amine;pyridin-2-amine;pyridin-3-amine

C93H86Cl2N18O4 — CID 158822712

IUPAC2-chloro-8-methoxyquinoline;2-chloro-7-methylquinoline;N-(6-methoxy-3-pyridinyl)-N,6-dimethylquinolin-2-amine;N-(6-methoxy-3-pyridinyl)-6-methylquinolin-2-amine;8-methoxy-N-pyridin-2-ylquinolin-2-amine;7-methyl-N-pyridin-3-ylquinolin-2-amine;pyridin-2-amine;pyridin-3-amine
SMILESCOc1ccc(N(C)c2ccc3cc(C)ccc3n2)cn1.COc1ccc(Nc2ccc3cc(C)ccc3n2)cn1.COc1cccc2ccc(Cl)nc12.COc1cccc2ccc(Nc3ccccn3)nc12.Cc1ccc2ccc(Cl)nc2c1.Cc1ccc2ccc(Nc3cccnc3)nc2c1.Nc1ccccn1.Nc1cccnc1
InChIInChI=1S/C17H17N3O.C16H15N3O.C15H13N3O.C15H13N3.C10H8ClNO.C10H8ClN.2C5H6N2/c1-12-4-7-15-13(10-12)5-8-16(19-15)20(2)14-6-9-17(21-3)18-11-14;1-11-3-6-14-12(9-11)4-7-15(19-14)18-13-5-8-16(20-2)17-10-13;1-19-12-6-4-5-11-8-9-14(18-15(11)12)17-13-7-2-3-10-16-13;1-11-4-5-12-6-7-15(18-14(12)9-11)17-13-3-2-8-16-10-13;1-13-8-4-2-3-7-5-6-9(11)12-10(7)8;1-7-2-3-8-4-5-10(11)12-9(8)6-7;6-5-2-1-3-7-4-5;6-5-3-1-2-4-7-5/h4-11H,1-3H3;3-10H,1-2H3,(H,18,19);2-10H,1H3,(H,16,17,18);2-10H,1H3,(H,17,18);2-6H,1H3;2-6H,1H3;1-4H,6H2;1-4H,(H2,6,7)
InChIKeyIWBMWYSWBAJUJO-UHFFFAOYSA-N
MW1590.74 g/mol
LogP21.89
Rot. Bonds12

About 2-chloro-8-methoxyquinoline;2-chloro-7-methylquinoline;N-(6-methoxy-3-pyridinyl)-N,6-dimethylquinolin-2-amine;N-(6-methoxy-3-pyridinyl)-6-methylquinolin-2-amine;8-methoxy-N-pyridin-2-ylquinolin-2-amine;7-methyl-N-pyridin-3-ylquinolin-2-amine;pyridin-2-amine;pyridin-3-amine

2-chloro-8-methoxyquinoline;2-chloro-7-methylquinoline;N-(6-methoxy-3-pyridinyl)-N,6-dimethylquinolin-2-amine;N-(6-methoxy-3-pyridinyl)-6-methylquinolin-2-amine;8-methoxy-N-pyridin-2-ylquinolin-2-amine;7-methyl-N-pyridin-3-ylquinolin-2-amine;pyridin-2-amine;pyridin-3-amine (PubChem CID 158822712) has the molecular formula C93H86Cl2N18O4 and a molecular weight of 1590.74 g/mol. Its IUPAC name is 2-chloro-8-methoxyquinoline;2-chloro-7-methylquinoline;N-(6-methoxy-3-pyridinyl)-N,6-dimethylquinolin-2-amine;N-(6-methoxy-3-pyridinyl)-6-methylquinolin-2-amine;8-methoxy-N-pyridin-2-ylquinolin-2-amine;7-methyl-N-pyridin-3-ylquinolin-2-amine;pyridin-2-amine;pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-8-methoxyquinoline;2-chloro-7-methylquinoline;N-(6-methoxy-3-pyridinyl)-N,6-dimethylquinolin-2-amine;N-(6-methoxy-3-pyridinyl)-6-methylquinolin-2-amine;8-methoxy-N-pyridin-2-ylquinolin-2-amine;7-methyl-N-pyridin-3-ylquinolin-2-amine;pyridin-2-amine;pyridin-3-amine
PubChem CID158822712
Molecular FormulaC93H86Cl2N18O4
Molecular Weight1590.74 g/mol
Exact Mass1588.65
IUPAC Name2-chloro-8-methoxyquinoline;2-chloro-7-methylquinoline;N-(6-methoxy-3-pyridinyl)-N,6-dimethylquinolin-2-amine;N-(6-methoxy-3-pyridinyl)-6-methylquinolin-2-amine;8-methoxy-N-pyridin-2-ylquinolin-2-amine;7-methyl-N-pyridin-3-ylquinolin-2-amine;pyridin-2-amine;pyridin-3-amine
SMILESCOc1ccc(N(C)c2ccc3cc(C)ccc3n2)cn1.COc1ccc(Nc2ccc3cc(C)ccc3n2)cn1.COc1cccc2ccc(Cl)nc12.COc1cccc2ccc(Nc3ccccn3)nc12.Cc1ccc2ccc(Cl)nc2c1.Cc1ccc2ccc(Nc3cccnc3)nc2c1.Nc1ccccn1.Nc1cccnc1
InChIInChI=1S/C17H17N3O.C16H15N3O.C15H13N3O.C15H13N3.C10H8ClNO.C10H8ClN.2C5H6N2/c1-12-4-7-15-13(10-12)5-8-16(19-15)20(2)14-6-9-17(21-3)18-11-14;1-11-3-6-14-12(9-11)4-7-15(19-14)18-13-5-8-16(20-2)17-10-13;1-19-12-6-4-5-11-8-9-14(18-15(11)12)17-13-7-2-3-10-16-13;1-11-4-5-12-6-7-15(18-14(12)9-11)17-13-3-2-8-16-10-13;1-13-8-4-2-3-7-5-6-9(11)12-10(7)8;1-7-2-3-8-4-5-10(11)12-9(8)6-7;6-5-2-1-3-7-4-5;6-5-3-1-2-4-7-5/h4-11H,1-3H3;3-10H,1-2H3,(H,18,19);2-10H,1H3,(H,16,17,18);2-10H,1H3,(H,17,18);2-6H,1H3;2-6H,1H3;1-4H,6H2;1-4H,(H2,6,7)
InChIKeyIWBMWYSWBAJUJO-UHFFFAOYSA-N
XLogP21.89
TPSA282.97 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001590.74
LogP ≤ 521.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 2-chloro-8-methoxyquinoline;2-chloro-7-methylquinoline;N-(6-methoxy-3-pyridinyl)-N,6-dimethylquinolin-2-amine;N-(6-methoxy-3-pyridinyl)-6-methylquinolin-2-amine;8-methoxy-N-pyridin-2-ylquinolin-2-amine;7-methyl-N-pyridin-3-ylquinolin-2-amine;pyridin-2-amine;pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-methoxyquinoline;2-chloro-7-methylquinoline;N-(6-methoxy-3-pyridinyl)-N,6-dimethylquinolin-2-amine;N-(6-methoxy-3-pyridinyl)-6-methylquinolin-2-amine;8-methoxy-N-pyridin-2-ylquinolin-2-amine;7-methyl-N-pyridin-3-ylquinolin-2-amine;pyridin-2-amine;pyridin-3-amine?
The IUPAC name of 2-chloro-8-methoxyquinoline;2-chloro-7-methylquinoline;N-(6-methoxy-3-pyridinyl)-N,6-dimethylquinolin-2-amine;N-(6-methoxy-3-pyridinyl)-6-methylquinolin-2-amine;8-methoxy-N-pyridin-2-ylquinolin-2-amine;7-methyl-N-pyridin-3-ylquinolin-2-amine;pyridin-2-amine;pyridin-3-amine (CID 158822712) is 2-chloro-8-methoxyquinoline;2-chloro-7-methylquinoline;N-(6-methoxy-3-pyridinyl)-N,6-dimethylquinolin-2-amine;N-(6-methoxy-3-pyridinyl)-6-methylquinolin-2-amine;8-methoxy-N-pyridin-2-ylquinolin-2-amine;7-methyl-N-pyridin-3-ylquinolin-2-amine;pyridin-2-amine;pyridin-3-amine.
What is the SMILES notation for 2-chloro-8-methoxyquinoline;2-chloro-7-methylquinoline;N-(6-methoxy-3-pyridinyl)-N,6-dimethylquinolin-2-amine;N-(6-methoxy-3-pyridinyl)-6-methylquinolin-2-amine;8-methoxy-N-pyridin-2-ylquinolin-2-amine;7-methyl-N-pyridin-3-ylquinolin-2-amine;pyridin-2-amine;pyridin-3-amine?
The canonical SMILES for 2-chloro-8-methoxyquinoline;2-chloro-7-methylquinoline;N-(6-methoxy-3-pyridinyl)-N,6-dimethylquinolin-2-amine;N-(6-methoxy-3-pyridinyl)-6-methylquinolin-2-amine;8-methoxy-N-pyridin-2-ylquinolin-2-amine;7-methyl-N-pyridin-3-ylquinolin-2-amine;pyridin-2-amine;pyridin-3-amine is COc1ccc(N(C)c2ccc3cc(C)ccc3n2)cn1.COc1ccc(Nc2ccc3cc(C)ccc3n2)cn1.COc1cccc2ccc(Cl)nc12.COc1cccc2ccc(Nc3ccccn3)nc12.Cc1ccc2ccc(Cl)nc2c1.Cc1ccc2ccc(Nc3cccnc3)nc2c1.Nc1ccccn1.Nc1cccnc1.
What is the InChIKey of 2-chloro-8-methoxyquinoline;2-chloro-7-methylquinoline;N-(6-methoxy-3-pyridinyl)-N,6-dimethylquinolin-2-amine;N-(6-methoxy-3-pyridinyl)-6-methylquinolin-2-amine;8-methoxy-N-pyridin-2-ylquinolin-2-amine;7-methyl-N-pyridin-3-ylquinolin-2-amine;pyridin-2-amine;pyridin-3-amine?
The InChIKey is IWBMWYSWBAJUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O.C16H15N3O.C15H13N3O.C15H13N3.C10H8ClNO.C10H8ClN.2C5H6N2/c1-12-4-7-15-13(10-12)5-8-16(19-15)20(2)14-6-9-17(21-3)18-11-14;1-11-3-6-14-12(9-11)4-7-15(19-14)18-13-5-8-16(20-2)17-10-13;1-19-12-6-4-5-11-8-9-14(18-15(11)12)17-13-7-2-3-10-16-13;1-11-4-5-12-6-7-15(18-14(12)9-11)17-13-3-2-8-16-10-13;1-13-8-4-2-3-7-5-6-9(11)12-10(7)8;1-7-2-3-8-4-5-10(11)12-9(8)6-7;6-5-2-1-3-7-4-5;6-5-3-1-2-4-7-5/h4-11H,1-3H3;3-10H,1-2H3,(H,18,19);2-10H,1H3,(H,16,17,18);2-10H,1H3,(H,17,18);2-6H,1H3;2-6H,1H3;1-4H,6H2;1-4H,(H2,6,7).
What are the key properties of 2-chloro-8-methoxyquinoline;2-chloro-7-methylquinoline;N-(6-methoxy-3-pyridinyl)-N,6-dimethylquinolin-2-amine;N-(6-methoxy-3-pyridinyl)-6-methylquinolin-2-amine;8-methoxy-N-pyridin-2-ylquinolin-2-amine;7-methyl-N-pyridin-3-ylquinolin-2-amine;pyridin-2-amine;pyridin-3-amine?
2-chloro-8-methoxyquinoline;2-chloro-7-methylquinoline;N-(6-methoxy-3-pyridinyl)-N,6-dimethylquinolin-2-amine;N-(6-methoxy-3-pyridinyl)-6-methylquinolin-2-amine;8-methoxy-N-pyridin-2-ylquinolin-2-amine;7-methyl-N-pyridin-3-ylquinolin-2-amine;pyridin-2-amine;pyridin-3-amine has a molecular weight of 1590.74 g/mol, XLogP of 21.89, 12 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-methoxyquinoline;2-chloro-7-methylquinoline;N-(6-methoxy-3-pyridinyl)-N,6-dimethylquinolin-2-amine;N-(6-methoxy-3-pyridinyl)-6-methylquinolin-2-amine;8-methoxy-N-pyridin-2-ylquinolin-2-amine;7-methyl-N-pyridin-3-ylquinolin-2-amine;pyridin-2-amine;pyridin-3-amine is sourced from PubChem (CID 158822712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).