(3,5-dichloro-2-pyridinyl)-quinolin-3-ylmethanone

C15H8Cl2N2O — CID 79787017

IUPAC(3,5-dichloro-2-pyridinyl)-quinolin-3-ylmethanone
SMILESO=C(c1cnc2ccccc2c1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C15H8Cl2N2O/c16-11-6-12(17)14(19-8-11)15(20)10-5-9-3-1-2-4-13(9)18-7-10/h1-8H
InChIKeyRIEGDEOQLQCCNA-UHFFFAOYSA-N
MW303.15 g/mol
LogP4.17
Rot. Bonds2

About (3,5-dichloro-2-pyridinyl)-quinolin-3-ylmethanone

(3,5-dichloro-2-pyridinyl)-quinolin-3-ylmethanone (PubChem CID 79787017) has the molecular formula C15H8Cl2N2O and a molecular weight of 303.15 g/mol. Its IUPAC name is (3,5-dichloro-2-pyridinyl)-quinolin-3-ylmethanone.

Molecular Properties

Compound Name(3,5-dichloro-2-pyridinyl)-quinolin-3-ylmethanone
PubChem CID79787017
Molecular FormulaC15H8Cl2N2O
Molecular Weight303.15 g/mol
Exact Mass302.00
IUPAC Name(3,5-dichloro-2-pyridinyl)-quinolin-3-ylmethanone
SMILESO=C(c1cnc2ccccc2c1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C15H8Cl2N2O/c16-11-6-12(17)14(19-8-11)15(20)10-5-9-3-1-2-4-13(9)18-7-10/h1-8H
InChIKeyRIEGDEOQLQCCNA-UHFFFAOYSA-N
XLogP4.17
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4-fluorophenyl)-quinolin-3-ylmethanone
CID 62945348
(4-bromo-2-chlorophenyl)-quinolin-3-ylmethanone
CID 114963086
carbonyl dichloride;quinoline-3-carboxylic acid
CID 175289113
quinoline-3-carboxylate
CID 4608508
CID 88968554
CID 88968554
quinoline-3-carboxamide;hydrofluoride
CID 174911514
(3-chloro-4-methylthiophen-2-yl)-quinolin-3-ylmethanone
CID 103407440
(4-cyclopropyloxyphenyl)-(3,5-dichloro-2-pyridinyl)methanone
CID 114518915
(3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone
CID 79786692
2-quinolin-3-ylprop-2-enoyl chloride;hydrochloride
CID 19079187
(4-methylsulfanylphenyl)-quinolin-3-ylmethanone
CID 114963133
2-(3,5-dichloro-4-hydroxyphenyl)-1-quinolin-3-ylethanone
CID 66716474

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2-pyridinyl)-quinolin-3-ylmethanone?
The IUPAC name of (3,5-dichloro-2-pyridinyl)-quinolin-3-ylmethanone (CID 79787017) is (3,5-dichloro-2-pyridinyl)-quinolin-3-ylmethanone.
What is the SMILES notation for (3,5-dichloro-2-pyridinyl)-quinolin-3-ylmethanone?
The canonical SMILES for (3,5-dichloro-2-pyridinyl)-quinolin-3-ylmethanone is O=C(c1cnc2ccccc2c1)c1ncc(Cl)cc1Cl.
What is the InChIKey of (3,5-dichloro-2-pyridinyl)-quinolin-3-ylmethanone?
The InChIKey is RIEGDEOQLQCCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N2O/c16-11-6-12(17)14(19-8-11)15(20)10-5-9-3-1-2-4-13(9)18-7-10/h1-8H.
What are the key properties of (3,5-dichloro-2-pyridinyl)-quinolin-3-ylmethanone?
(3,5-dichloro-2-pyridinyl)-quinolin-3-ylmethanone has a molecular weight of 303.15 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-2-pyridinyl)-quinolin-3-ylmethanone is sourced from PubChem (CID 79787017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).