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

C16H13Cl2NO — CID 790424

IUPAC(3,4-dichlorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCCc2ccccc21
InChIInChI=1S/C16H13Cl2NO/c17-13-8-7-12(10-14(13)18)16(20)19-9-3-5-11-4-1-2-6-15(11)19/h1-2,4,6-8,10H,3,5,9H2
InChIKeyPYMLKFNUDPPDBZ-UHFFFAOYSA-N
MW306.19 g/mol
LogP4.59
Rot. Bonds1

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

(3,4-dichlorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 790424) has the molecular formula C16H13Cl2NO and a molecular weight of 306.19 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID790424
Molecular FormulaC16H13Cl2NO
Molecular Weight306.19 g/mol
Exact Mass305.04
IUPAC Name(3,4-dichlorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCCc2ccccc21
InChIInChI=1S/C16H13Cl2NO/c17-13-8-7-12(10-14(13)18)16(20)19-9-3-5-11-4-1-2-6-15(11)19/h1-2,4,6-8,10H,3,5,9H2
InChIKeyPYMLKFNUDPPDBZ-UHFFFAOYSA-N
XLogP4.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (3,4-dichlorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 790424) is (3,4-dichlorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (3,4-dichlorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCCc2ccccc21.
What is the InChIKey of (3,4-dichlorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is PYMLKFNUDPPDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO/c17-13-8-7-12(10-14(13)18)16(20)19-9-3-5-11-4-1-2-6-15(11)19/h1-2,4,6-8,10H,3,5,9H2.
What are the key properties of (3,4-dichlorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
(3,4-dichlorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 306.19 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 790424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).