3-amino-1-[(2-chlorophenyl)methyl]-6,7-dimethoxy-3,4-dihydroquinolin-2-one;hydrochloride

C18H20Cl2N2O3 — CID 67595683

IUPAC3-amino-1-[(2-chlorophenyl)methyl]-6,7-dimethoxy-3,4-dihydroquinolin-2-one;hydrochloride
SMILESCOc1cc2c(cc1OC)N(Cc1ccccc1Cl)C(=O)C(N)C2.Cl
InChIInChI=1S/C18H19ClN2O3.ClH/c1-23-16-8-12-7-14(20)18(22)21(15(12)9-17(16)24-2)10-11-5-3-4-6-13(11)19;/h3-6,8-9,14H,7,10,20H2,1-2H3;1H
InChIKeyXDLBYUGLJCWART-UHFFFAOYSA-N
MW383.28 g/mol
LogP3.20
Rot. Bonds4

About 3-amino-1-[(2-chlorophenyl)methyl]-6,7-dimethoxy-3,4-dihydroquinolin-2-one;hydrochloride

3-amino-1-[(2-chlorophenyl)methyl]-6,7-dimethoxy-3,4-dihydroquinolin-2-one;hydrochloride (PubChem CID 67595683) has the molecular formula C18H20Cl2N2O3 and a molecular weight of 383.28 g/mol. Its IUPAC name is 3-amino-1-[(2-chlorophenyl)methyl]-6,7-dimethoxy-3,4-dihydroquinolin-2-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-[(2-chlorophenyl)methyl]-6,7-dimethoxy-3,4-dihydroquinolin-2-one;hydrochloride
PubChem CID67595683
Molecular FormulaC18H20Cl2N2O3
Molecular Weight383.28 g/mol
Exact Mass382.09
IUPAC Name3-amino-1-[(2-chlorophenyl)methyl]-6,7-dimethoxy-3,4-dihydroquinolin-2-one;hydrochloride
SMILESCOc1cc2c(cc1OC)N(Cc1ccccc1Cl)C(=O)C(N)C2.Cl
InChIInChI=1S/C18H19ClN2O3.ClH/c1-23-16-8-12-7-14(20)18(22)21(15(12)9-17(16)24-2)10-11-5-3-4-6-13(11)19;/h3-6,8-9,14H,7,10,20H2,1-2H3;1H
InChIKeyXDLBYUGLJCWART-UHFFFAOYSA-N
XLogP3.20
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2-chlorophenyl)methyl]-6,7-dimethoxy-3,4-dihydroquinolin-2-one;hydrochloride?
The IUPAC name of 3-amino-1-[(2-chlorophenyl)methyl]-6,7-dimethoxy-3,4-dihydroquinolin-2-one;hydrochloride (CID 67595683) is 3-amino-1-[(2-chlorophenyl)methyl]-6,7-dimethoxy-3,4-dihydroquinolin-2-one;hydrochloride.
What is the SMILES notation for 3-amino-1-[(2-chlorophenyl)methyl]-6,7-dimethoxy-3,4-dihydroquinolin-2-one;hydrochloride?
The canonical SMILES for 3-amino-1-[(2-chlorophenyl)methyl]-6,7-dimethoxy-3,4-dihydroquinolin-2-one;hydrochloride is COc1cc2c(cc1OC)N(Cc1ccccc1Cl)C(=O)C(N)C2.Cl.
What is the InChIKey of 3-amino-1-[(2-chlorophenyl)methyl]-6,7-dimethoxy-3,4-dihydroquinolin-2-one;hydrochloride?
The InChIKey is XDLBYUGLJCWART-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3.ClH/c1-23-16-8-12-7-14(20)18(22)21(15(12)9-17(16)24-2)10-11-5-3-4-6-13(11)19;/h3-6,8-9,14H,7,10,20H2,1-2H3;1H.
What are the key properties of 3-amino-1-[(2-chlorophenyl)methyl]-6,7-dimethoxy-3,4-dihydroquinolin-2-one;hydrochloride?
3-amino-1-[(2-chlorophenyl)methyl]-6,7-dimethoxy-3,4-dihydroquinolin-2-one;hydrochloride has a molecular weight of 383.28 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2-chlorophenyl)methyl]-6,7-dimethoxy-3,4-dihydroquinolin-2-one;hydrochloride is sourced from PubChem (CID 67595683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).