8-chloro-7-methoxy-2-(2-methylpropyl)-1H-quinolin-4-one;4,8-dichloro-7-methoxy-2-(2-methylpropyl)quinoline;propan-2-amine;2,4,8-trichloro-7-methoxyquinoline

C41H46Cl6N4O4 — CID 159487547

IUPAC8-chloro-7-methoxy-2-(2-methylpropyl)-1H-quinolin-4-one;4,8-dichloro-7-methoxy-2-(2-methylpropyl)quinoline;propan-2-amine;2,4,8-trichloro-7-methoxyquinoline
SMILESCC(C)N.COc1ccc2c(=O)cc(CC(C)C)[nH]c2c1Cl.COc1ccc2c(Cl)cc(CC(C)C)nc2c1Cl.COc1ccc2c(Cl)cc(Cl)nc2c1Cl
InChIInChI=1S/C14H15Cl2NO.C14H16ClNO2.C10H6Cl3NO.C3H9N/c1-8(2)6-9-7-11(15)10-4-5-12(18-3)13(16)14(10)17-9;1-8(2)6-9-7-11(17)10-4-5-12(18-3)13(15)14(10)16-9;1-15-7-3-2-5-6(11)4-8(12)14-10(5)9(7)13;1-3(2)4/h4-5,7-8H,6H2,1-3H3;4-5,7-8H,6H2,1-3H3,(H,16,17);2-4H,1H3;3H,4H2,1-2H3
InChIKeyLXTPMLLNDUBFMF-UHFFFAOYSA-N
MW871.56 g/mol
LogP12.69
Rot. Bonds7

About 8-chloro-7-methoxy-2-(2-methylpropyl)-1H-quinolin-4-one;4,8-dichloro-7-methoxy-2-(2-methylpropyl)quinoline;propan-2-amine;2,4,8-trichloro-7-methoxyquinoline

8-chloro-7-methoxy-2-(2-methylpropyl)-1H-quinolin-4-one;4,8-dichloro-7-methoxy-2-(2-methylpropyl)quinoline;propan-2-amine;2,4,8-trichloro-7-methoxyquinoline (PubChem CID 159487547) has the molecular formula C41H46Cl6N4O4 and a molecular weight of 871.56 g/mol. Its IUPAC name is 8-chloro-7-methoxy-2-(2-methylpropyl)-1H-quinolin-4-one;4,8-dichloro-7-methoxy-2-(2-methylpropyl)quinoline;propan-2-amine;2,4,8-trichloro-7-methoxyquinoline.

Molecular Properties

Compound Name8-chloro-7-methoxy-2-(2-methylpropyl)-1H-quinolin-4-one;4,8-dichloro-7-methoxy-2-(2-methylpropyl)quinoline;propan-2-amine;2,4,8-trichloro-7-methoxyquinoline
PubChem CID159487547
Molecular FormulaC41H46Cl6N4O4
Molecular Weight871.56 g/mol
Exact Mass868.17
IUPAC Name8-chloro-7-methoxy-2-(2-methylpropyl)-1H-quinolin-4-one;4,8-dichloro-7-methoxy-2-(2-methylpropyl)quinoline;propan-2-amine;2,4,8-trichloro-7-methoxyquinoline
SMILESCC(C)N.COc1ccc2c(=O)cc(CC(C)C)[nH]c2c1Cl.COc1ccc2c(Cl)cc(CC(C)C)nc2c1Cl.COc1ccc2c(Cl)cc(Cl)nc2c1Cl
InChIInChI=1S/C14H15Cl2NO.C14H16ClNO2.C10H6Cl3NO.C3H9N/c1-8(2)6-9-7-11(15)10-4-5-12(18-3)13(16)14(10)17-9;1-8(2)6-9-7-11(17)10-4-5-12(18-3)13(15)14(10)16-9;1-15-7-3-2-5-6(11)4-8(12)14-10(5)9(7)13;1-3(2)4/h4-5,7-8H,6H2,1-3H3;4-5,7-8H,6H2,1-3H3,(H,16,17);2-4H,1H3;3H,4H2,1-2H3
InChIKeyLXTPMLLNDUBFMF-UHFFFAOYSA-N
XLogP12.69
TPSA112.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.56
LogP ≤ 512.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-methoxy-2-(2-methylpropyl)-1H-quinolin-4-one;4,8-dichloro-7-methoxy-2-(2-methylpropyl)quinoline;propan-2-amine;2,4,8-trichloro-7-methoxyquinoline?
The IUPAC name of 8-chloro-7-methoxy-2-(2-methylpropyl)-1H-quinolin-4-one;4,8-dichloro-7-methoxy-2-(2-methylpropyl)quinoline;propan-2-amine;2,4,8-trichloro-7-methoxyquinoline (CID 159487547) is 8-chloro-7-methoxy-2-(2-methylpropyl)-1H-quinolin-4-one;4,8-dichloro-7-methoxy-2-(2-methylpropyl)quinoline;propan-2-amine;2,4,8-trichloro-7-methoxyquinoline.
What is the SMILES notation for 8-chloro-7-methoxy-2-(2-methylpropyl)-1H-quinolin-4-one;4,8-dichloro-7-methoxy-2-(2-methylpropyl)quinoline;propan-2-amine;2,4,8-trichloro-7-methoxyquinoline?
The canonical SMILES for 8-chloro-7-methoxy-2-(2-methylpropyl)-1H-quinolin-4-one;4,8-dichloro-7-methoxy-2-(2-methylpropyl)quinoline;propan-2-amine;2,4,8-trichloro-7-methoxyquinoline is CC(C)N.COc1ccc2c(=O)cc(CC(C)C)[nH]c2c1Cl.COc1ccc2c(Cl)cc(CC(C)C)nc2c1Cl.COc1ccc2c(Cl)cc(Cl)nc2c1Cl.
What is the InChIKey of 8-chloro-7-methoxy-2-(2-methylpropyl)-1H-quinolin-4-one;4,8-dichloro-7-methoxy-2-(2-methylpropyl)quinoline;propan-2-amine;2,4,8-trichloro-7-methoxyquinoline?
The InChIKey is LXTPMLLNDUBFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO.C14H16ClNO2.C10H6Cl3NO.C3H9N/c1-8(2)6-9-7-11(15)10-4-5-12(18-3)13(16)14(10)17-9;1-8(2)6-9-7-11(17)10-4-5-12(18-3)13(15)14(10)16-9;1-15-7-3-2-5-6(11)4-8(12)14-10(5)9(7)13;1-3(2)4/h4-5,7-8H,6H2,1-3H3;4-5,7-8H,6H2,1-3H3,(H,16,17);2-4H,1H3;3H,4H2,1-2H3.
What are the key properties of 8-chloro-7-methoxy-2-(2-methylpropyl)-1H-quinolin-4-one;4,8-dichloro-7-methoxy-2-(2-methylpropyl)quinoline;propan-2-amine;2,4,8-trichloro-7-methoxyquinoline?
8-chloro-7-methoxy-2-(2-methylpropyl)-1H-quinolin-4-one;4,8-dichloro-7-methoxy-2-(2-methylpropyl)quinoline;propan-2-amine;2,4,8-trichloro-7-methoxyquinoline has a molecular weight of 871.56 g/mol, XLogP of 12.69, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-methoxy-2-(2-methylpropyl)-1H-quinolin-4-one;4,8-dichloro-7-methoxy-2-(2-methylpropyl)quinoline;propan-2-amine;2,4,8-trichloro-7-methoxyquinoline is sourced from PubChem (CID 159487547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).