8-chloro-7-methoxy-2-(2-methoxyethylamino)-1H-quinolin-4-one;4,8-dichloro-7-methoxy-N-(2-methoxyethyl)quinolin-2-amine;2-methoxyethanamine;2,4,8-trichloro-7-methoxyquinoline

C39H44Cl6N6O7 — CID 159560901

IUPAC8-chloro-7-methoxy-2-(2-methoxyethylamino)-1H-quinolin-4-one;4,8-dichloro-7-methoxy-N-(2-methoxyethyl)quinolin-2-amine;2-methoxyethanamine;2,4,8-trichloro-7-methoxyquinoline
SMILESCOCCN.COCCNc1cc(=O)c2ccc(OC)c(Cl)c2[nH]1.COCCNc1cc(Cl)c2ccc(OC)c(Cl)c2n1.COc1ccc2c(Cl)cc(Cl)nc2c1Cl
InChIInChI=1S/C13H14Cl2N2O2.C13H15ClN2O3.C10H6Cl3NO.C3H9NO/c1-18-6-5-16-11-7-9(14)8-3-4-10(19-2)12(15)13(8)17-11;1-18-6-5-15-11-7-9(17)8-3-4-10(19-2)12(14)13(8)16-11;1-15-7-3-2-5-6(11)4-8(12)14-10(5)9(7)13;1-5-3-2-4/h3-4,7H,5-6H2,1-2H3,(H,16,17);3-4,7H,5-6H2,1-2H3,(H2,15,16,17);2-4H,1H3;2-4H2,1H3
InChIKeyMGPHYJGFTAXDIB-UHFFFAOYSA-N
MW921.53 g/mol
LogP9.65
Rot. Bonds13

About 8-chloro-7-methoxy-2-(2-methoxyethylamino)-1H-quinolin-4-one;4,8-dichloro-7-methoxy-N-(2-methoxyethyl)quinolin-2-amine;2-methoxyethanamine;2,4,8-trichloro-7-methoxyquinoline

8-chloro-7-methoxy-2-(2-methoxyethylamino)-1H-quinolin-4-one;4,8-dichloro-7-methoxy-N-(2-methoxyethyl)quinolin-2-amine;2-methoxyethanamine;2,4,8-trichloro-7-methoxyquinoline (PubChem CID 159560901) has the molecular formula C39H44Cl6N6O7 and a molecular weight of 921.53 g/mol. Its IUPAC name is 8-chloro-7-methoxy-2-(2-methoxyethylamino)-1H-quinolin-4-one;4,8-dichloro-7-methoxy-N-(2-methoxyethyl)quinolin-2-amine;2-methoxyethanamine;2,4,8-trichloro-7-methoxyquinoline.

Molecular Properties

Compound Name8-chloro-7-methoxy-2-(2-methoxyethylamino)-1H-quinolin-4-one;4,8-dichloro-7-methoxy-N-(2-methoxyethyl)quinolin-2-amine;2-methoxyethanamine;2,4,8-trichloro-7-methoxyquinoline
PubChem CID159560901
Molecular FormulaC39H44Cl6N6O7
Molecular Weight921.53 g/mol
Exact Mass918.14
IUPAC Name8-chloro-7-methoxy-2-(2-methoxyethylamino)-1H-quinolin-4-one;4,8-dichloro-7-methoxy-N-(2-methoxyethyl)quinolin-2-amine;2-methoxyethanamine;2,4,8-trichloro-7-methoxyquinoline
SMILESCOCCN.COCCNc1cc(=O)c2ccc(OC)c(Cl)c2[nH]1.COCCNc1cc(Cl)c2ccc(OC)c(Cl)c2n1.COc1ccc2c(Cl)cc(Cl)nc2c1Cl
InChIInChI=1S/C13H14Cl2N2O2.C13H15ClN2O3.C10H6Cl3NO.C3H9NO/c1-18-6-5-16-11-7-9(14)8-3-4-10(19-2)12(15)13(8)17-11;1-18-6-5-15-11-7-9(17)8-3-4-10(19-2)12(14)13(8)16-11;1-15-7-3-2-5-6(11)4-8(12)14-10(5)9(7)13;1-5-3-2-4/h3-4,7H,5-6H2,1-2H3,(H,16,17);3-4,7H,5-6H2,1-2H3,(H2,15,16,17);2-4H,1H3;2-4H2,1H3
InChIKeyMGPHYJGFTAXDIB-UHFFFAOYSA-N
XLogP9.65
TPSA164.10 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500921.53
LogP ≤ 59.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 8-chloro-7-methoxy-2-(2-methoxyethylamino)-1H-quinolin-4-one;4,8-dichloro-7-methoxy-N-(2-methoxyethyl)quinolin-2-amine;2-methoxyethanamine;2,4,8-trichloro-7-methoxyquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-methoxy-2-(2-methoxyethylamino)-1H-quinolin-4-one;4,8-dichloro-7-methoxy-N-(2-methoxyethyl)quinolin-2-amine;2-methoxyethanamine;2,4,8-trichloro-7-methoxyquinoline?
The IUPAC name of 8-chloro-7-methoxy-2-(2-methoxyethylamino)-1H-quinolin-4-one;4,8-dichloro-7-methoxy-N-(2-methoxyethyl)quinolin-2-amine;2-methoxyethanamine;2,4,8-trichloro-7-methoxyquinoline (CID 159560901) is 8-chloro-7-methoxy-2-(2-methoxyethylamino)-1H-quinolin-4-one;4,8-dichloro-7-methoxy-N-(2-methoxyethyl)quinolin-2-amine;2-methoxyethanamine;2,4,8-trichloro-7-methoxyquinoline.
What is the SMILES notation for 8-chloro-7-methoxy-2-(2-methoxyethylamino)-1H-quinolin-4-one;4,8-dichloro-7-methoxy-N-(2-methoxyethyl)quinolin-2-amine;2-methoxyethanamine;2,4,8-trichloro-7-methoxyquinoline?
The canonical SMILES for 8-chloro-7-methoxy-2-(2-methoxyethylamino)-1H-quinolin-4-one;4,8-dichloro-7-methoxy-N-(2-methoxyethyl)quinolin-2-amine;2-methoxyethanamine;2,4,8-trichloro-7-methoxyquinoline is COCCN.COCCNc1cc(=O)c2ccc(OC)c(Cl)c2[nH]1.COCCNc1cc(Cl)c2ccc(OC)c(Cl)c2n1.COc1ccc2c(Cl)cc(Cl)nc2c1Cl.
What is the InChIKey of 8-chloro-7-methoxy-2-(2-methoxyethylamino)-1H-quinolin-4-one;4,8-dichloro-7-methoxy-N-(2-methoxyethyl)quinolin-2-amine;2-methoxyethanamine;2,4,8-trichloro-7-methoxyquinoline?
The InChIKey is MGPHYJGFTAXDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2.C13H15ClN2O3.C10H6Cl3NO.C3H9NO/c1-18-6-5-16-11-7-9(14)8-3-4-10(19-2)12(15)13(8)17-11;1-18-6-5-15-11-7-9(17)8-3-4-10(19-2)12(14)13(8)16-11;1-15-7-3-2-5-6(11)4-8(12)14-10(5)9(7)13;1-5-3-2-4/h3-4,7H,5-6H2,1-2H3,(H,16,17);3-4,7H,5-6H2,1-2H3,(H2,15,16,17);2-4H,1H3;2-4H2,1H3.
What are the key properties of 8-chloro-7-methoxy-2-(2-methoxyethylamino)-1H-quinolin-4-one;4,8-dichloro-7-methoxy-N-(2-methoxyethyl)quinolin-2-amine;2-methoxyethanamine;2,4,8-trichloro-7-methoxyquinoline?
8-chloro-7-methoxy-2-(2-methoxyethylamino)-1H-quinolin-4-one;4,8-dichloro-7-methoxy-N-(2-methoxyethyl)quinolin-2-amine;2-methoxyethanamine;2,4,8-trichloro-7-methoxyquinoline has a molecular weight of 921.53 g/mol, XLogP of 9.65, 13 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-methoxy-2-(2-methoxyethylamino)-1H-quinolin-4-one;4,8-dichloro-7-methoxy-N-(2-methoxyethyl)quinolin-2-amine;2-methoxyethanamine;2,4,8-trichloro-7-methoxyquinoline is sourced from PubChem (CID 159560901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).