6,10-dimethoxy-2-(4-methoxyphenyl)-1H-benzo[h]quinolin-4-one

C22H19NO4 — CID 155525476

IUPAC6,10-dimethoxy-2-(4-methoxyphenyl)-1H-benzo[h]quinolin-4-one
SMILESCOc1ccc(-c2cc(=O)c3cc(OC)c4cccc(OC)c4c3[nH]2)cc1
InChIInChI=1S/C22H19NO4/c1-25-14-9-7-13(8-10-14)17-12-18(24)16-11-20(27-3)15-5-4-6-19(26-2)21(15)22(16)23-17/h4-12H,1-3H3,(H,23,24)
InChIKeyKCQYCVMSWZNNRJ-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.37
Rot. Bonds4

About 6,10-dimethoxy-2-(4-methoxyphenyl)-1H-benzo[h]quinolin-4-one

6,10-dimethoxy-2-(4-methoxyphenyl)-1H-benzo[h]quinolin-4-one (PubChem CID 155525476) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 6,10-dimethoxy-2-(4-methoxyphenyl)-1H-benzo[h]quinolin-4-one.

Molecular Properties

Compound Name6,10-dimethoxy-2-(4-methoxyphenyl)-1H-benzo[h]quinolin-4-one
PubChem CID155525476
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name6,10-dimethoxy-2-(4-methoxyphenyl)-1H-benzo[h]quinolin-4-one
SMILESCOc1ccc(-c2cc(=O)c3cc(OC)c4cccc(OC)c4c3[nH]2)cc1
InChIInChI=1S/C22H19NO4/c1-25-14-9-7-13(8-10-14)17-12-18(24)16-11-20(27-3)15-5-4-6-19(26-2)21(15)22(16)23-17/h4-12H,1-3H3,(H,23,24)
InChIKeyKCQYCVMSWZNNRJ-UHFFFAOYSA-N
XLogP4.37
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,10-dimethoxy-2-(4-methoxyphenyl)-1H-benzo[h]quinolin-4-one?
The IUPAC name of 6,10-dimethoxy-2-(4-methoxyphenyl)-1H-benzo[h]quinolin-4-one (CID 155525476) is 6,10-dimethoxy-2-(4-methoxyphenyl)-1H-benzo[h]quinolin-4-one.
What is the SMILES notation for 6,10-dimethoxy-2-(4-methoxyphenyl)-1H-benzo[h]quinolin-4-one?
The canonical SMILES for 6,10-dimethoxy-2-(4-methoxyphenyl)-1H-benzo[h]quinolin-4-one is COc1ccc(-c2cc(=O)c3cc(OC)c4cccc(OC)c4c3[nH]2)cc1.
What is the InChIKey of 6,10-dimethoxy-2-(4-methoxyphenyl)-1H-benzo[h]quinolin-4-one?
The InChIKey is KCQYCVMSWZNNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-25-14-9-7-13(8-10-14)17-12-18(24)16-11-20(27-3)15-5-4-6-19(26-2)21(15)22(16)23-17/h4-12H,1-3H3,(H,23,24).
What are the key properties of 6,10-dimethoxy-2-(4-methoxyphenyl)-1H-benzo[h]quinolin-4-one?
6,10-dimethoxy-2-(4-methoxyphenyl)-1H-benzo[h]quinolin-4-one has a molecular weight of 361.40 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dimethoxy-2-(4-methoxyphenyl)-1H-benzo[h]quinolin-4-one is sourced from PubChem (CID 155525476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).