6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-3,4-dihydroquinolin-2-one

C17H16ClNO2 — CID 63106324

IUPAC6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C17H16ClNO2/c1-19-15-8-4-13(10-12(15)5-9-16(19)20)17(21)11-2-6-14(18)7-3-11/h2-4,6-8,10,17,21H,5,9H2,1H3
InChIKeyBMYNVQBBKVHELK-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.33
Rot. Bonds2

About 6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-3,4-dihydroquinolin-2-one

6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 63106324) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID63106324
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C17H16ClNO2/c1-19-15-8-4-13(10-12(15)5-9-16(19)20)17(21)11-2-6-14(18)7-3-11/h2-4,6-8,10,17,21H,5,9H2,1H3
InChIKeyBMYNVQBBKVHELK-UHFFFAOYSA-N
XLogP3.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-3,4-dihydroquinolin-2-one (CID 63106324) is 6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(C(O)c3ccc(Cl)cc3)ccc21.
What is the InChIKey of 6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is BMYNVQBBKVHELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-19-15-8-4-13(10-12(15)5-9-16(19)20)17(21)11-2-6-14(18)7-3-11/h2-4,6-8,10,17,21H,5,9H2,1H3.
What are the key properties of 6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-3,4-dihydroquinolin-2-one?
6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 301.77 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 63106324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).