6-(8-chloroquinolin-6-yl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one;7-(4-isocyano-3-methylpyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(4-isocyanopyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one

C86H50Cl2N24O4 — CID 163945034

IUPAC6-(8-chloroquinolin-6-yl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one;7-(4-isocyano-3-methylpyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(4-isocyanopyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
SMILES[C-]#[N+]c1cn(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3ncccc3c2)nc1C.[C-]#[N+]c1cn(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)nc1C.[C-]#[N+]c1cnn(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3ncccc3c2)c1.[C-]#[N+]c1cnn(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)c1
InChIInChI=1S/C22H13ClN6O.C22H14N6O.C21H11ClN6O.C21H12N6O/c1-12-18(24-2)11-29(28-12)22-15(10-16-19(30)5-7-26-21(16)27-22)14-8-13-4-3-6-25-20(13)17(23)9-14;1-13-19(23-2)12-28(27-13)22-16(11-17-20(29)7-9-25-21(17)26-22)14-5-6-18-15(10-14)4-3-8-24-18;1-23-14-10-26-28(11-14)21-15(9-16-18(29)4-6-25-20(16)27-21)13-7-12-3-2-5-24-19(12)17(22)8-13;1-22-15-11-25-27(12-15)21-16(10-17-19(28)6-8-24-20(17)26-21)13-4-5-18-14(9-13)3-2-7-23-18/h3-11H,1H3,(H,26,27,30);3-12H,1H3,(H,25,26,29);2-11H,(H,25,27,29);2-12H,(H,24,26,28)
InChIKeyRUINGQVEHAPTFS-UHFFFAOYSA-N
MW1554.42 g/mol
LogP17.42
Rot. Bonds8

About 6-(8-chloroquinolin-6-yl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one;7-(4-isocyano-3-methylpyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(4-isocyanopyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one

6-(8-chloroquinolin-6-yl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one;7-(4-isocyano-3-methylpyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(4-isocyanopyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (PubChem CID 163945034) has the molecular formula C86H50Cl2N24O4 and a molecular weight of 1554.42 g/mol. Its IUPAC name is 6-(8-chloroquinolin-6-yl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one;7-(4-isocyano-3-methylpyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(4-isocyanopyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(8-chloroquinolin-6-yl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one;7-(4-isocyano-3-methylpyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(4-isocyanopyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
PubChem CID163945034
Molecular FormulaC86H50Cl2N24O4
Molecular Weight1554.42 g/mol
Exact Mass1552.38
IUPAC Name6-(8-chloroquinolin-6-yl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one;7-(4-isocyano-3-methylpyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(4-isocyanopyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
SMILES[C-]#[N+]c1cn(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3ncccc3c2)nc1C.[C-]#[N+]c1cn(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)nc1C.[C-]#[N+]c1cnn(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3ncccc3c2)c1.[C-]#[N+]c1cnn(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)c1
InChIInChI=1S/C22H13ClN6O.C22H14N6O.C21H11ClN6O.C21H12N6O/c1-12-18(24-2)11-29(28-12)22-15(10-16-19(30)5-7-26-21(16)27-22)14-8-13-4-3-6-25-20(13)17(23)9-14;1-13-19(23-2)12-28(27-13)22-16(11-17-20(29)7-9-25-21(17)26-22)14-5-6-18-15(10-14)4-3-8-24-18;1-23-14-10-26-28(11-14)21-15(9-16-18(29)4-6-25-20(16)27-21)13-7-12-3-2-5-24-19(12)17(22)8-13;1-22-15-11-25-27(12-15)21-16(10-17-19(28)6-8-24-20(17)26-21)13-4-5-18-14(9-13)3-2-7-23-18/h3-11H,1H3,(H,26,27,30);3-12H,1H3,(H,25,26,29);2-11H,(H,25,27,29);2-12H,(H,24,26,28)
InChIKeyRUINGQVEHAPTFS-UHFFFAOYSA-N
XLogP17.42
TPSA323.28 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds8
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001554.42
LogP ≤ 517.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 6-(8-chloroquinolin-6-yl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one;7-(4-isocyano-3-methylpyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(4-isocyanopyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one 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-(8-chloro-4-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one
CID 137438519
CID 167651461
CID 167651461
[2-[5-[2-[[(5-Chloro-2-pyridinyl)amino]methyl]-3-methyl-1-[5-methyl-2-(4-methyltriazol-2-yl)benzoyl]piperidin-4-yl]-3-methylpyrazol-1-yl]-5-methylphenyl]-[2-[[(5-chloro-2-pyridinyl)amino]methyl]-3-methylpiperidin-1-yl]methanone
CID 123771632
6-(8-chloro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one
CID 137438002
6-(8-chloroquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one
CID 137438255
6-(8-chloro-2-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one
CID 137438542
6-(8-chloro-4-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one
CID 137438651
6-(8-chloro-3-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one
CID 137438655
6-(8-chloro-3-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one
CID 137438657
6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one
CID 137438740
6-(8-chloro-5-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one
CID 137439027
6-(8-chloro-2-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one
CID 137439028

Frequently Asked Questions

What is the IUPAC name of 6-(8-chloroquinolin-6-yl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one;7-(4-isocyano-3-methylpyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(4-isocyanopyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(8-chloroquinolin-6-yl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one;7-(4-isocyano-3-methylpyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(4-isocyanopyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (CID 163945034) is 6-(8-chloroquinolin-6-yl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one;7-(4-isocyano-3-methylpyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(4-isocyanopyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(8-chloroquinolin-6-yl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one;7-(4-isocyano-3-methylpyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(4-isocyanopyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(8-chloroquinolin-6-yl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one;7-(4-isocyano-3-methylpyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(4-isocyanopyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is [C-]#[N+]c1cn(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3ncccc3c2)nc1C.[C-]#[N+]c1cn(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)nc1C.[C-]#[N+]c1cnn(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3ncccc3c2)c1.[C-]#[N+]c1cnn(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)c1.
What is the InChIKey of 6-(8-chloroquinolin-6-yl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one;7-(4-isocyano-3-methylpyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(4-isocyanopyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The InChIKey is RUINGQVEHAPTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClN6O.C22H14N6O.C21H11ClN6O.C21H12N6O/c1-12-18(24-2)11-29(28-12)22-15(10-16-19(30)5-7-26-21(16)27-22)14-8-13-4-3-6-25-20(13)17(23)9-14;1-13-19(23-2)12-28(27-13)22-16(11-17-20(29)7-9-25-21(17)26-22)14-5-6-18-15(10-14)4-3-8-24-18;1-23-14-10-26-28(11-14)21-15(9-16-18(29)4-6-25-20(16)27-21)13-7-12-3-2-5-24-19(12)17(22)8-13;1-22-15-11-25-27(12-15)21-16(10-17-19(28)6-8-24-20(17)26-21)13-4-5-18-14(9-13)3-2-7-23-18/h3-11H,1H3,(H,26,27,30);3-12H,1H3,(H,25,26,29);2-11H,(H,25,27,29);2-12H,(H,24,26,28).
What are the key properties of 6-(8-chloroquinolin-6-yl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one;7-(4-isocyano-3-methylpyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(4-isocyanopyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
6-(8-chloroquinolin-6-yl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one;7-(4-isocyano-3-methylpyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(4-isocyanopyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one has a molecular weight of 1554.42 g/mol, XLogP of 17.42, 8 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-chloroquinolin-6-yl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one;7-(4-isocyano-3-methylpyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(4-isocyanopyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 163945034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).