6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-chloro-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one

C21H15Cl2N3O2 — CID 143997385

IUPAC6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-chloro-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one
SMILESCn1c(=O)cc(-c2cccc(Cl)n2)c2nc(C(O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C21H15Cl2N3O2/c1-26-17-10-9-16(21(28)12-5-7-13(22)8-6-12)25-20(17)14(11-19(26)27)15-3-2-4-18(23)24-15/h2-11,21,28H,1H3
InChIKeyMLQGUDRGWKTGSO-UHFFFAOYSA-N
MW412.28 g/mol
LogP4.38
Rot. Bonds3

About 6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-chloro-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one

6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-chloro-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one (PubChem CID 143997385) has the molecular formula C21H15Cl2N3O2 and a molecular weight of 412.28 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-chloro-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-chloro-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one
PubChem CID143997385
Molecular FormulaC21H15Cl2N3O2
Molecular Weight412.28 g/mol
Exact Mass411.05
IUPAC Name6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-chloro-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one
SMILESCn1c(=O)cc(-c2cccc(Cl)n2)c2nc(C(O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C21H15Cl2N3O2/c1-26-17-10-9-16(21(28)12-5-7-13(22)8-6-12)25-20(17)14(11-19(26)27)15-3-2-4-18(23)24-15/h2-11,21,28H,1H3
InChIKeyMLQGUDRGWKTGSO-UHFFFAOYSA-N
XLogP4.38
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.28
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[(4-chlorophenyl)-fluoromethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methylimidazole
CID 143997364
6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methyltriazole
CID 143997449
6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one
CID 143997369
6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;1-methylimidazole
CID 143997344
6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one
CID 143997448
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-1,7-naphthyridin-2-one;1-methylimidazole
CID 143997357
4-[(R)-amino-[4-(6-chloro-2-pyridinyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxymethyl]benzonitrile
CID 143910602
4-[amino-[4-(6-chloro-2-pyridinyl)-1-methyl-2-oxoquinolin-6-yl]methyl]benzonitrile;1-methylimidazole
CID 143910621
(4-chlorophenyl)-(6-fluoro-2-pyridinyl)methanol
CID 146466291
6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;1-methylimidazole
CID 143997386
(4-chlorophenyl)-(6-methoxy-2-pyridinyl)methanol
CID 103348092
4-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-6-bromo-1-methyl-1,5-naphthyridin-2-one
CID 175508065

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-chloro-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one?
The IUPAC name of 6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-chloro-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one (CID 143997385) is 6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-chloro-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one.
What is the SMILES notation for 6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-chloro-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one?
The canonical SMILES for 6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-chloro-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one is Cn1c(=O)cc(-c2cccc(Cl)n2)c2nc(C(O)c3ccc(Cl)cc3)ccc21.
What is the InChIKey of 6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-chloro-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one?
The InChIKey is MLQGUDRGWKTGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N3O2/c1-26-17-10-9-16(21(28)12-5-7-13(22)8-6-12)25-20(17)14(11-19(26)27)15-3-2-4-18(23)24-15/h2-11,21,28H,1H3.
What are the key properties of 6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-chloro-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one?
6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-chloro-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one has a molecular weight of 412.28 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-chloro-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one is sourced from PubChem (CID 143997385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).