6-bromo-1-methyl-7-phenyl-1,8-naphthyridin-4-one;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;quinolin-6-ylboronic acid

C62H45BBr2N8O5 — CID 160541991

IUPAC6-bromo-1-methyl-7-phenyl-1,8-naphthyridin-4-one;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;quinolin-6-ylboronic acid
SMILESCn1ccc(=O)c2cc(-c3ccc4ncccc4c3)c(-c3ccccc3)nc21.Cn1ccc(=O)c2cc(Br)c(-c3ccccc3)nc21.O=c1cc[nH]c2nc(-c3ccccc3)c(Br)cc12.OB(O)c1ccc2ncccc2c1
InChIInChI=1S/C24H17N3O.C15H11BrN2O.C14H9BrN2O.C9H8BNO2/c1-27-13-11-22(28)20-15-19(17-9-10-21-18(14-17)8-5-12-25-21)23(26-24(20)27)16-6-3-2-4-7-16;1-18-8-7-13(19)11-9-12(16)14(17-15(11)18)10-5-3-2-4-6-10;15-11-8-10-12(18)6-7-16-14(10)17-13(11)9-4-2-1-3-5-9;12-10(13)8-3-4-9-7(6-8)2-1-5-11-9/h2-15H,1H3;2-9H,1H3;1-8H,(H,16,17,18);1-6,12-13H
InChIKeyQWXDBBXQJQTLRD-UHFFFAOYSA-N
MW1152.71 g/mol
LogP11.45
Rot. Bonds5

About 6-bromo-1-methyl-7-phenyl-1,8-naphthyridin-4-one;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;quinolin-6-ylboronic acid

6-bromo-1-methyl-7-phenyl-1,8-naphthyridin-4-one;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;quinolin-6-ylboronic acid (PubChem CID 160541991) has the molecular formula C62H45BBr2N8O5 and a molecular weight of 1152.71 g/mol. Its IUPAC name is 6-bromo-1-methyl-7-phenyl-1,8-naphthyridin-4-one;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;quinolin-6-ylboronic acid.

Molecular Properties

Compound Name6-bromo-1-methyl-7-phenyl-1,8-naphthyridin-4-one;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;quinolin-6-ylboronic acid
PubChem CID160541991
Molecular FormulaC62H45BBr2N8O5
Molecular Weight1152.71 g/mol
Exact Mass1150.20
IUPAC Name6-bromo-1-methyl-7-phenyl-1,8-naphthyridin-4-one;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;quinolin-6-ylboronic acid
SMILESCn1ccc(=O)c2cc(-c3ccc4ncccc4c3)c(-c3ccccc3)nc21.Cn1ccc(=O)c2cc(Br)c(-c3ccccc3)nc21.O=c1cc[nH]c2nc(-c3ccccc3)c(Br)cc12.OB(O)c1ccc2ncccc2c1
InChIInChI=1S/C24H17N3O.C15H11BrN2O.C14H9BrN2O.C9H8BNO2/c1-27-13-11-22(28)20-15-19(17-9-10-21-18(14-17)8-5-12-25-21)23(26-24(20)27)16-6-3-2-4-7-16;1-18-8-7-13(19)11-9-12(16)14(17-15(11)18)10-5-3-2-4-6-10;15-11-8-10-12(18)6-7-16-14(10)17-13(11)9-4-2-1-3-5-9;12-10(13)8-3-4-9-7(6-8)2-1-5-11-9/h2-15H,1H3;2-9H,1H3;1-8H,(H,16,17,18);1-6,12-13H
InChIKeyQWXDBBXQJQTLRD-UHFFFAOYSA-N
XLogP11.45
TPSA181.77 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001152.71
LogP ≤ 511.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 6-bromo-1-methyl-7-phenyl-1,8-naphthyridin-4-one;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;quinolin-6-ylboronic acid 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

(2-amino-5-bromo-3-pyridinyl)-[6-[(3S,5S)-3-methyl-5-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[(2R)-2-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-aminophenyl)-[6-[(3R,5S)-3-phenyl-5-propylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-aminophenyl)-[6-[(3S,5S)-3-phenyl-5-propylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 158248112
6-(4-pyridin-4-ylquinolin-6-yl)-1H-1,8-naphthyridin-4-one
CID 69175894
6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one
CID 137423256
7-pyridin-3-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137423279
7-pyridin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137423286
3-(4-methylpiperazin-1-yl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137437989
3-[(4-methylpiperazin-1-yl)methylamino]-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137437996
2-bromo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137438020
3-(aminomethyl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137438080
3-methyl-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137438083
7-phenyl-3-pyridin-2-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137438090
7-phenyl-3-pyridin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137438268

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methyl-7-phenyl-1,8-naphthyridin-4-one;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;quinolin-6-ylboronic acid?
The IUPAC name of 6-bromo-1-methyl-7-phenyl-1,8-naphthyridin-4-one;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;quinolin-6-ylboronic acid (CID 160541991) is 6-bromo-1-methyl-7-phenyl-1,8-naphthyridin-4-one;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;quinolin-6-ylboronic acid.
What is the SMILES notation for 6-bromo-1-methyl-7-phenyl-1,8-naphthyridin-4-one;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;quinolin-6-ylboronic acid?
The canonical SMILES for 6-bromo-1-methyl-7-phenyl-1,8-naphthyridin-4-one;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;quinolin-6-ylboronic acid is Cn1ccc(=O)c2cc(-c3ccc4ncccc4c3)c(-c3ccccc3)nc21.Cn1ccc(=O)c2cc(Br)c(-c3ccccc3)nc21.O=c1cc[nH]c2nc(-c3ccccc3)c(Br)cc12.OB(O)c1ccc2ncccc2c1.
What is the InChIKey of 6-bromo-1-methyl-7-phenyl-1,8-naphthyridin-4-one;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;quinolin-6-ylboronic acid?
The InChIKey is QWXDBBXQJQTLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O.C15H11BrN2O.C14H9BrN2O.C9H8BNO2/c1-27-13-11-22(28)20-15-19(17-9-10-21-18(14-17)8-5-12-25-21)23(26-24(20)27)16-6-3-2-4-7-16;1-18-8-7-13(19)11-9-12(16)14(17-15(11)18)10-5-3-2-4-6-10;15-11-8-10-12(18)6-7-16-14(10)17-13(11)9-4-2-1-3-5-9;12-10(13)8-3-4-9-7(6-8)2-1-5-11-9/h2-15H,1H3;2-9H,1H3;1-8H,(H,16,17,18);1-6,12-13H.
What are the key properties of 6-bromo-1-methyl-7-phenyl-1,8-naphthyridin-4-one;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;quinolin-6-ylboronic acid?
6-bromo-1-methyl-7-phenyl-1,8-naphthyridin-4-one;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;quinolin-6-ylboronic acid has a molecular weight of 1152.71 g/mol, XLogP of 11.45, 5 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-methyl-7-phenyl-1,8-naphthyridin-4-one;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;quinolin-6-ylboronic acid is sourced from PubChem (CID 160541991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).