6-[(3-chlorophenyl)-(methylamino)methyl]-3,4-dihydro-1H-quinolin-2-one

C17H17ClN2O — CID 43483923

IUPAC6-[(3-chlorophenyl)-(methylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCNC(c1cccc(Cl)c1)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C17H17ClN2O/c1-19-17(12-3-2-4-14(18)10-12)13-5-7-15-11(9-13)6-8-16(21)20-15/h2-5,7,9-10,17,19H,6,8H2,1H3,(H,20,21)
InChIKeyMWPSYJLTMKNNKQ-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.53
Rot. Bonds3

About 6-[(3-chlorophenyl)-(methylamino)methyl]-3,4-dihydro-1H-quinolin-2-one

6-[(3-chlorophenyl)-(methylamino)methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43483923) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)-(methylamino)methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(3-chlorophenyl)-(methylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID43483923
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name6-[(3-chlorophenyl)-(methylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCNC(c1cccc(Cl)c1)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C17H17ClN2O/c1-19-17(12-3-2-4-14(18)10-12)13-5-7-15-11(9-13)6-8-16(21)20-15/h2-5,7,9-10,17,19H,6,8H2,1H3,(H,20,21)
InChIKeyMWPSYJLTMKNNKQ-UHFFFAOYSA-N
XLogP3.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)-(methylamino)methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(3-chlorophenyl)-(methylamino)methyl]-3,4-dihydro-1H-quinolin-2-one (CID 43483923) is 6-[(3-chlorophenyl)-(methylamino)methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(3-chlorophenyl)-(methylamino)methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(3-chlorophenyl)-(methylamino)methyl]-3,4-dihydro-1H-quinolin-2-one is CNC(c1cccc(Cl)c1)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[(3-chlorophenyl)-(methylamino)methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MWPSYJLTMKNNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-19-17(12-3-2-4-14(18)10-12)13-5-7-15-11(9-13)6-8-16(21)20-15/h2-5,7,9-10,17,19H,6,8H2,1H3,(H,20,21).
What are the key properties of 6-[(3-chlorophenyl)-(methylamino)methyl]-3,4-dihydro-1H-quinolin-2-one?
6-[(3-chlorophenyl)-(methylamino)methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 300.79 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)-(methylamino)methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43483923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).