[(4R)-7-[(dimethylamino)methyl]-6-hydroxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-(2-methoxyphenyl)methanone

C23H30N2O3 — CID 95369808

IUPAC[(4R)-7-[(dimethylamino)methyl]-6-hydroxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1c2cc(CN(C)C)c(O)cc2[C@H](C)CC1(C)C
InChIInChI=1S/C23H30N2O3/c1-15-13-23(2,3)25(22(27)17-9-7-8-10-21(17)28-6)19-11-16(14-24(4)5)20(26)12-18(15)19/h7-12,15,26H,13-14H2,1-6H3/t15-/m1/s1
InChIKeyMSDOWGCJYXQEGG-OAHLLOKOSA-N
MW382.50 g/mol
LogP4.39
Rot. Bonds4

About [(4R)-7-[(dimethylamino)methyl]-6-hydroxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-(2-methoxyphenyl)methanone

[(4R)-7-[(dimethylamino)methyl]-6-hydroxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 95369808) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is [(4R)-7-[(dimethylamino)methyl]-6-hydroxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(4R)-7-[(dimethylamino)methyl]-6-hydroxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID95369808
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name[(4R)-7-[(dimethylamino)methyl]-6-hydroxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1c2cc(CN(C)C)c(O)cc2[C@H](C)CC1(C)C
InChIInChI=1S/C23H30N2O3/c1-15-13-23(2,3)25(22(27)17-9-7-8-10-21(17)28-6)19-11-16(14-24(4)5)20(26)12-18(15)19/h7-12,15,26H,13-14H2,1-6H3/t15-/m1/s1
InChIKeyMSDOWGCJYXQEGG-OAHLLOKOSA-N
XLogP4.39
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4R)-7-[(dimethylamino)methyl]-6-hydroxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [(4R)-7-[(dimethylamino)methyl]-6-hydroxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-(2-methoxyphenyl)methanone (CID 95369808) is [(4R)-7-[(dimethylamino)methyl]-6-hydroxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [(4R)-7-[(dimethylamino)methyl]-6-hydroxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [(4R)-7-[(dimethylamino)methyl]-6-hydroxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1c2cc(CN(C)C)c(O)cc2[C@H](C)CC1(C)C.
What is the InChIKey of [(4R)-7-[(dimethylamino)methyl]-6-hydroxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is MSDOWGCJYXQEGG-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-15-13-23(2,3)25(22(27)17-9-7-8-10-21(17)28-6)19-11-16(14-24(4)5)20(26)12-18(15)19/h7-12,15,26H,13-14H2,1-6H3/t15-/m1/s1.
What are the key properties of [(4R)-7-[(dimethylamino)methyl]-6-hydroxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-(2-methoxyphenyl)methanone?
[(4R)-7-[(dimethylamino)methyl]-6-hydroxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 382.50 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-7-[(dimethylamino)methyl]-6-hydroxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 95369808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).