(2,5-dichloro-4-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C16H14Cl2N2O — CID 114918498

IUPAC(2,5-dichloro-4-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1Cc2ccccc2N(C(=O)c2cc(Cl)ncc2Cl)C1
InChIInChI=1S/C16H14Cl2N2O/c1-10-6-11-4-2-3-5-14(11)20(9-10)16(21)12-7-15(18)19-8-13(12)17/h2-5,7-8,10H,6,9H2,1H3
InChIKeyQZLAXXBNUICOQZ-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.23
Rot. Bonds1

About (2,5-dichloro-4-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

(2,5-dichloro-4-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 114918498) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is (2,5-dichloro-4-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dichloro-4-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID114918498
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name(2,5-dichloro-4-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1Cc2ccccc2N(C(=O)c2cc(Cl)ncc2Cl)C1
InChIInChI=1S/C16H14Cl2N2O/c1-10-6-11-4-2-3-5-14(11)20(9-10)16(21)12-7-15(18)19-8-13(12)17/h2-5,7-8,10H,6,9H2,1H3
InChIKeyQZLAXXBNUICOQZ-UHFFFAOYSA-N
XLogP4.23
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dichloro-4-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (2,5-dichloro-4-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 114918498) is (2,5-dichloro-4-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (2,5-dichloro-4-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (2,5-dichloro-4-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is CC1Cc2ccccc2N(C(=O)c2cc(Cl)ncc2Cl)C1.
What is the InChIKey of (2,5-dichloro-4-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is QZLAXXBNUICOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c1-10-6-11-4-2-3-5-14(11)20(9-10)16(21)12-7-15(18)19-8-13(12)17/h2-5,7-8,10H,6,9H2,1H3.
What are the key properties of (2,5-dichloro-4-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(2,5-dichloro-4-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 321.21 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichloro-4-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 114918498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).