6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one

C23H16ClN3O2 — CID 143997448

IUPAC6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one
SMILESC#Cc1cccc(-c2cc(=O)n(C)c3ncc(C(O)c4ccc(Cl)cc4)cc23)n1
InChIInChI=1S/C23H16ClN3O2/c1-3-17-5-4-6-20(26-17)18-12-21(28)27(2)23-19(18)11-15(13-25-23)22(29)14-7-9-16(24)10-8-14/h1,4-13,22,29H,2H3
InChIKeyGGLPVUOGSNBQQY-UHFFFAOYSA-N
MW401.85 g/mol
LogP3.71
Rot. Bonds3

About 6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one

6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one (PubChem CID 143997448) has the molecular formula C23H16ClN3O2 and a molecular weight of 401.85 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one
PubChem CID143997448
Molecular FormulaC23H16ClN3O2
Molecular Weight401.85 g/mol
Exact Mass401.09
IUPAC Name6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one
SMILESC#Cc1cccc(-c2cc(=O)n(C)c3ncc(C(O)c4ccc(Cl)cc4)cc23)n1
InChIInChI=1S/C23H16ClN3O2/c1-3-17-5-4-6-20(26-17)18-12-21(28)27(2)23-19(18)11-15(13-25-23)22(29)14-7-9-16(24)10-8-14/h1,4-13,22,29H,2H3
InChIKeyGGLPVUOGSNBQQY-UHFFFAOYSA-N
XLogP3.71
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole
CID 143997532
6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one
CID 59334656
6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole
CID 143997300
6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one
CID 46205251
6-[6-[amino-(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile;1-methylimidazole
CID 143997536
6-[6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile
CID 59334748
6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methyltriazole
CID 143997449
6-[(4-chlorophenyl)-fluoromethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methylimidazole
CID 143997364
6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-chloro-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one
CID 143997385
6-[(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one
CID 75146692
6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one
CID 143997369
6-[6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,7-naphthyridin-4-yl]pyridine-2-carbonitrile
CID 59334725

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one?
The IUPAC name of 6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one (CID 143997448) is 6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one?
The canonical SMILES for 6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one is C#Cc1cccc(-c2cc(=O)n(C)c3ncc(C(O)c4ccc(Cl)cc4)cc23)n1.
What is the InChIKey of 6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one?
The InChIKey is GGLPVUOGSNBQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3O2/c1-3-17-5-4-6-20(26-17)18-12-21(28)27(2)23-19(18)11-15(13-25-23)22(29)14-7-9-16(24)10-8-14/h1,4-13,22,29H,2H3.
What are the key properties of 6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one?
6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one has a molecular weight of 401.85 g/mol, XLogP of 3.71, 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-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 143997448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).