4-[amino-[4-(6-chloro-2-pyridinyl)-1-methyl-2-oxoquinolin-6-yl]methyl]benzonitrile;1-methylimidazole

C27H23ClN6O — CID 143910621

IUPAC4-[amino-[4-(6-chloro-2-pyridinyl)-1-methyl-2-oxoquinolin-6-yl]methyl]benzonitrile;1-methylimidazole
SMILESCn1c(=O)cc(-c2cccc(Cl)n2)c2cc(C(N)c3ccc(C#N)cc3)ccc21.Cn1ccnc1
InChIInChI=1S/C23H17ClN4O.C4H6N2/c1-28-20-10-9-16(23(26)15-7-5-14(13-25)6-8-15)11-18(20)17(12-22(28)29)19-3-2-4-21(24)27-19;1-6-3-2-5-4-6/h2-12,23H,26H2,1H3;2-4H,1H3
InChIKeyCWPVQVHSUNSLTB-UHFFFAOYSA-N
MW482.98 g/mol
LogP4.59
Rot. Bonds3

About 4-[amino-[4-(6-chloro-2-pyridinyl)-1-methyl-2-oxoquinolin-6-yl]methyl]benzonitrile;1-methylimidazole

4-[amino-[4-(6-chloro-2-pyridinyl)-1-methyl-2-oxoquinolin-6-yl]methyl]benzonitrile;1-methylimidazole (PubChem CID 143910621) has the molecular formula C27H23ClN6O and a molecular weight of 482.98 g/mol. Its IUPAC name is 4-[amino-[4-(6-chloro-2-pyridinyl)-1-methyl-2-oxoquinolin-6-yl]methyl]benzonitrile;1-methylimidazole.

Molecular Properties

Compound Name4-[amino-[4-(6-chloro-2-pyridinyl)-1-methyl-2-oxoquinolin-6-yl]methyl]benzonitrile;1-methylimidazole
PubChem CID143910621
Molecular FormulaC27H23ClN6O
Molecular Weight482.98 g/mol
Exact Mass482.16
IUPAC Name4-[amino-[4-(6-chloro-2-pyridinyl)-1-methyl-2-oxoquinolin-6-yl]methyl]benzonitrile;1-methylimidazole
SMILESCn1c(=O)cc(-c2cccc(Cl)n2)c2cc(C(N)c3ccc(C#N)cc3)ccc21.Cn1ccnc1
InChIInChI=1S/C23H17ClN4O.C4H6N2/c1-28-20-10-9-16(23(26)15-7-5-14(13-25)6-8-15)11-18(20)17(12-22(28)29)19-3-2-4-21(24)27-19;1-6-3-2-5-4-6/h2-12,23H,26H2,1H3;2-4H,1H3
InChIKeyCWPVQVHSUNSLTB-UHFFFAOYSA-N
XLogP4.59
TPSA102.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.98
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[amino-[4-(6-chloro-2-pyridinyl)-1-methyl-2-oxoquinolin-6-yl]methyl]benzonitrile;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

4-[(R)-amino-[4-(6-chloro-2-pyridinyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxymethyl]benzonitrile
CID 143910602
6-[6-[amino-(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile;1-methylimidazole
CID 143997536
6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole
CID 143997532
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
4-[[5-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-methoxymethyl]imidazol-1-yl]methyl]benzonitrile
CID 58906527
6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methyltriazole
CID 143997449
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-1,7-naphthyridin-2-one;1-methylimidazole
CID 143997357
6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;1-methylimidazole
CID 143997344
6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole
CID 143997300
6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;1-methylimidazole
CID 143997386
4-[[5-[4-(3-ethynylphenyl)-1-methyl-2-oxoquinolin-6-yl]sulfonylimidazol-1-yl]methyl]benzonitrile
CID 88859682

Frequently Asked Questions

What is the IUPAC name of 4-[amino-[4-(6-chloro-2-pyridinyl)-1-methyl-2-oxoquinolin-6-yl]methyl]benzonitrile;1-methylimidazole?
The IUPAC name of 4-[amino-[4-(6-chloro-2-pyridinyl)-1-methyl-2-oxoquinolin-6-yl]methyl]benzonitrile;1-methylimidazole (CID 143910621) is 4-[amino-[4-(6-chloro-2-pyridinyl)-1-methyl-2-oxoquinolin-6-yl]methyl]benzonitrile;1-methylimidazole.
What is the SMILES notation for 4-[amino-[4-(6-chloro-2-pyridinyl)-1-methyl-2-oxoquinolin-6-yl]methyl]benzonitrile;1-methylimidazole?
The canonical SMILES for 4-[amino-[4-(6-chloro-2-pyridinyl)-1-methyl-2-oxoquinolin-6-yl]methyl]benzonitrile;1-methylimidazole is Cn1c(=O)cc(-c2cccc(Cl)n2)c2cc(C(N)c3ccc(C#N)cc3)ccc21.Cn1ccnc1.
What is the InChIKey of 4-[amino-[4-(6-chloro-2-pyridinyl)-1-methyl-2-oxoquinolin-6-yl]methyl]benzonitrile;1-methylimidazole?
The InChIKey is CWPVQVHSUNSLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O.C4H6N2/c1-28-20-10-9-16(23(26)15-7-5-14(13-25)6-8-15)11-18(20)17(12-22(28)29)19-3-2-4-21(24)27-19;1-6-3-2-5-4-6/h2-12,23H,26H2,1H3;2-4H,1H3.
What are the key properties of 4-[amino-[4-(6-chloro-2-pyridinyl)-1-methyl-2-oxoquinolin-6-yl]methyl]benzonitrile;1-methylimidazole?
4-[amino-[4-(6-chloro-2-pyridinyl)-1-methyl-2-oxoquinolin-6-yl]methyl]benzonitrile;1-methylimidazole has a molecular weight of 482.98 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-[4-(6-chloro-2-pyridinyl)-1-methyl-2-oxoquinolin-6-yl]methyl]benzonitrile;1-methylimidazole is sourced from PubChem (CID 143910621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).