(2,4-dichlorophenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C17H15Cl2NO — CID 2930064

IUPAC(2,4-dichlorophenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1CCc2ccccc2N1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2NO/c1-11-6-7-12-4-2-3-5-16(12)20(11)17(21)14-9-8-13(18)10-15(14)19/h2-5,8-11H,6-7H2,1H3
InChIKeySMCKTYKFNPGDBT-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.97
Rot. Bonds1

About (2,4-dichlorophenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

(2,4-dichlorophenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 2930064) has the molecular formula C17H15Cl2NO and a molecular weight of 320.22 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID2930064
Molecular FormulaC17H15Cl2NO
Molecular Weight320.22 g/mol
Exact Mass319.05
IUPAC Name(2,4-dichlorophenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1CCc2ccccc2N1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2NO/c1-11-6-7-12-4-2-3-5-16(12)20(11)17(21)14-9-8-13(18)10-15(14)19/h2-5,8-11H,6-7H2,1H3
InChIKeySMCKTYKFNPGDBT-UHFFFAOYSA-N
XLogP4.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (2,4-dichlorophenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 2930064) is (2,4-dichlorophenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (2,4-dichlorophenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is CC1CCc2ccccc2N1C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is SMCKTYKFNPGDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO/c1-11-6-7-12-4-2-3-5-16(12)20(11)17(21)14-9-8-13(18)10-15(14)19/h2-5,8-11H,6-7H2,1H3.
What are the key properties of (2,4-dichlorophenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(2,4-dichlorophenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 320.22 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 2930064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).