6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole

C28H23ClN4O2 — CID 143997300

IUPAC6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole
SMILESC#Cc1cccc(-c2cc(=O)n(C)c3ncc(C(O)c4ccc(Cl)cc4)cc23)c1.Cn1ccnc1
InChIInChI=1S/C24H17ClN2O2.C4H6N2/c1-3-15-5-4-6-17(11-15)20-13-22(28)27(2)24-21(20)12-18(14-26-24)23(29)16-7-9-19(25)10-8-16;1-6-3-2-5-4-6/h1,4-14,23,29H,2H3;2-4H,1H3
InChIKeyWTKQTYNRGCWKRE-UHFFFAOYSA-N
MW482.97 g/mol
LogP4.74
Rot. Bonds3

About 6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole

6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole (PubChem CID 143997300) has the molecular formula C28H23ClN4O2 and a molecular weight of 482.97 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole.

Molecular Properties

Compound Name6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole
PubChem CID143997300
Molecular FormulaC28H23ClN4O2
Molecular Weight482.97 g/mol
Exact Mass482.15
IUPAC Name6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole
SMILESC#Cc1cccc(-c2cc(=O)n(C)c3ncc(C(O)c4ccc(Cl)cc4)cc23)c1.Cn1ccnc1
InChIInChI=1S/C24H17ClN2O2.C4H6N2/c1-3-15-5-4-6-17(11-15)20-13-22(28)27(2)24-21(20)12-18(14-26-24)23(29)16-7-9-19(25)10-8-16;1-6-3-2-5-4-6/h1,4-14,23,29H,2H3;2-4H,1H3
InChIKeyWTKQTYNRGCWKRE-UHFFFAOYSA-N
XLogP4.74
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.97
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole
CID 143997532
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
6-[6-[amino-(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile;1-methylimidazole
CID 143997536
6-[(4-chlorophenyl)-fluoromethyl]-1-(cyclopropylmethyl)-4-(3-ethynylphenyl)-1,7-naphthyridin-2-one;1-methylimidazole
CID 143997310
6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methylquinolin-2-one;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 56843795
6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methylquinolin-2-one;(2S,3S)-2,3-dihydroxybutanedioic acid
CID 51002534
6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methylquinolin-2-one;methane
CID 143910641
3-[6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]benzonitrile
CID 46203632
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-methylquinolin-2-one
CID 11604992
6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;1-methylimidazole
CID 143997386
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one
CID 59334692

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole?
The IUPAC name of 6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole (CID 143997300) is 6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole.
What is the SMILES notation for 6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole?
The canonical SMILES for 6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole is C#Cc1cccc(-c2cc(=O)n(C)c3ncc(C(O)c4ccc(Cl)cc4)cc23)c1.Cn1ccnc1.
What is the InChIKey of 6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole?
The InChIKey is WTKQTYNRGCWKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2O2.C4H6N2/c1-3-15-5-4-6-17(11-15)20-13-22(28)27(2)24-21(20)12-18(14-26-24)23(29)16-7-9-19(25)10-8-16;1-6-3-2-5-4-6/h1,4-14,23,29H,2H3;2-4H,1H3.
What are the key properties of 6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole?
6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole has a molecular weight of 482.97 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole is sourced from PubChem (CID 143997300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).