5-[1-(dimethylamino)ethylamino]-7-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one

C22H27N3O3 — CID 18771394

IUPAC5-[1-(dimethylamino)ethylamino]-7-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one
SMILESCOc1ccc(-c2cn(C)c3cc(OC)cc(NC(C)N(C)C)c3c2=O)cc1
InChIInChI=1S/C22H27N3O3/c1-14(24(2)3)23-19-11-17(28-6)12-20-21(19)22(26)18(13-25(20)4)15-7-9-16(27-5)10-8-15/h7-14,23H,1-6H3
InChIKeyFEKBDCZFRZIOAQ-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.54
Rot. Bonds6

About 5-[1-(dimethylamino)ethylamino]-7-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one

5-[1-(dimethylamino)ethylamino]-7-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one (PubChem CID 18771394) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 5-[1-(dimethylamino)ethylamino]-7-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one.

Molecular Properties

Compound Name5-[1-(dimethylamino)ethylamino]-7-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one
PubChem CID18771394
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name5-[1-(dimethylamino)ethylamino]-7-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one
SMILESCOc1ccc(-c2cn(C)c3cc(OC)cc(NC(C)N(C)C)c3c2=O)cc1
InChIInChI=1S/C22H27N3O3/c1-14(24(2)3)23-19-11-17(28-6)12-20-21(19)22(26)18(13-25(20)4)15-7-9-16(27-5)10-8-15/h7-14,23H,1-6H3
InChIKeyFEKBDCZFRZIOAQ-UHFFFAOYSA-N
XLogP3.54
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(dimethylamino)ethylamino]-7-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one?
The IUPAC name of 5-[1-(dimethylamino)ethylamino]-7-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one (CID 18771394) is 5-[1-(dimethylamino)ethylamino]-7-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one.
What is the SMILES notation for 5-[1-(dimethylamino)ethylamino]-7-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one?
The canonical SMILES for 5-[1-(dimethylamino)ethylamino]-7-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one is COc1ccc(-c2cn(C)c3cc(OC)cc(NC(C)N(C)C)c3c2=O)cc1.
What is the InChIKey of 5-[1-(dimethylamino)ethylamino]-7-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one?
The InChIKey is FEKBDCZFRZIOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-14(24(2)3)23-19-11-17(28-6)12-20-21(19)22(26)18(13-25(20)4)15-7-9-16(27-5)10-8-15/h7-14,23H,1-6H3.
What are the key properties of 5-[1-(dimethylamino)ethylamino]-7-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one?
5-[1-(dimethylamino)ethylamino]-7-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one has a molecular weight of 381.48 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(dimethylamino)ethylamino]-7-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one is sourced from PubChem (CID 18771394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).