6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-imidazol-2-yl)-1H-1,8-naphthyridin-4-one

C18H14ClN5O — CID 137438212

IUPAC6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-imidazol-2-yl)-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ncc(C)[nH]2)cc(Cl)n1
InChIInChI=1S/C18H14ClN5O/c1-9-5-11(6-15(19)22-9)12-7-13-14(25)3-4-20-17(13)24-16(12)18-21-8-10(2)23-18/h3-8H,1-2H3,(H,21,23)(H,20,24,25)
InChIKeyMKRFJEDBRVYKCQ-UHFFFAOYSA-N
MW351.80 g/mol
LogP3.65
Rot. Bonds2

About 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-imidazol-2-yl)-1H-1,8-naphthyridin-4-one

6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-imidazol-2-yl)-1H-1,8-naphthyridin-4-one (PubChem CID 137438212) has the molecular formula C18H14ClN5O and a molecular weight of 351.80 g/mol. Its IUPAC name is 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-imidazol-2-yl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-imidazol-2-yl)-1H-1,8-naphthyridin-4-one
PubChem CID137438212
Molecular FormulaC18H14ClN5O
Molecular Weight351.80 g/mol
Exact Mass351.09
IUPAC Name6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-imidazol-2-yl)-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ncc(C)[nH]2)cc(Cl)n1
InChIInChI=1S/C18H14ClN5O/c1-9-5-11(6-15(19)22-9)12-7-13-14(25)3-4-20-17(13)24-16(12)18-21-8-10(2)23-18/h3-8H,1-2H3,(H,21,23)(H,20,24,25)
InChIKeyMKRFJEDBRVYKCQ-UHFFFAOYSA-N
XLogP3.65
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.80
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-imidazol-2-yl)-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-imidazol-2-yl)-1H-1,8-naphthyridin-4-one (CID 137438212) is 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-imidazol-2-yl)-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-imidazol-2-yl)-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-imidazol-2-yl)-1H-1,8-naphthyridin-4-one is Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ncc(C)[nH]2)cc(Cl)n1.
What is the InChIKey of 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-imidazol-2-yl)-1H-1,8-naphthyridin-4-one?
The InChIKey is MKRFJEDBRVYKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O/c1-9-5-11(6-15(19)22-9)12-7-13-14(25)3-4-20-17(13)24-16(12)18-21-8-10(2)23-18/h3-8H,1-2H3,(H,21,23)(H,20,24,25).
What are the key properties of 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-imidazol-2-yl)-1H-1,8-naphthyridin-4-one?
6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-imidazol-2-yl)-1H-1,8-naphthyridin-4-one has a molecular weight of 351.80 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-imidazol-2-yl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137438212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).