1-(2-amino-6-chloro-5-quinolin-6-yl-3-pyridinyl)ethanone;7-chloro-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(3-methylpyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;5-methyl-2H-pyrrole

C59H44Cl2N12O3 — CID 158193576

IUPAC1-(2-amino-6-chloro-5-quinolin-6-yl-3-pyridinyl)ethanone;7-chloro-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(3-methylpyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;5-methyl-2H-pyrrole
SMILESCC(=O)c1cc(-c2ccc3ncccc3c2)c(Cl)nc1N.CC1=NCC=C1.Cc1ccn(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)n1.O=c1cc[nH]c2nc(Cl)c(-c3ccc4ncccc4c3)cc12
InChIInChI=1S/C21H15N5O.C17H10ClN3O.C16H12ClN3O.C5H7N/c1-13-7-10-26(25-13)21-16(12-17-19(27)6-9-23-20(17)24-21)14-4-5-18-15(11-14)3-2-8-22-18;18-16-12(9-13-15(22)5-7-20-17(13)21-16)10-3-4-14-11(8-10)2-1-6-19-14;1-9(21)12-8-13(15(17)20-16(12)18)10-4-5-14-11(7-10)3-2-6-19-14;1-5-3-2-4-6-5/h2-12H,1H3,(H,23,24,27);1-9H,(H,20,21,22);2-8H,1H3,(H2,18,20);2-3H,4H2,1H3
InChIKeyGABIADJUJQNEOS-UHFFFAOYSA-N
MW1039.99 g/mol
LogP12.18
Rot. Bonds5

About 1-(2-amino-6-chloro-5-quinolin-6-yl-3-pyridinyl)ethanone;7-chloro-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(3-methylpyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;5-methyl-2H-pyrrole

1-(2-amino-6-chloro-5-quinolin-6-yl-3-pyridinyl)ethanone;7-chloro-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(3-methylpyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;5-methyl-2H-pyrrole (PubChem CID 158193576) has the molecular formula C59H44Cl2N12O3 and a molecular weight of 1039.99 g/mol. Its IUPAC name is 1-(2-amino-6-chloro-5-quinolin-6-yl-3-pyridinyl)ethanone;7-chloro-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(3-methylpyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;5-methyl-2H-pyrrole.

Molecular Properties

Compound Name1-(2-amino-6-chloro-5-quinolin-6-yl-3-pyridinyl)ethanone;7-chloro-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(3-methylpyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;5-methyl-2H-pyrrole
PubChem CID158193576
Molecular FormulaC59H44Cl2N12O3
Molecular Weight1039.99 g/mol
Exact Mass1038.30
IUPAC Name1-(2-amino-6-chloro-5-quinolin-6-yl-3-pyridinyl)ethanone;7-chloro-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(3-methylpyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;5-methyl-2H-pyrrole
SMILESCC(=O)c1cc(-c2ccc3ncccc3c2)c(Cl)nc1N.CC1=NCC=C1.Cc1ccn(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)n1.O=c1cc[nH]c2nc(Cl)c(-c3ccc4ncccc4c3)cc12
InChIInChI=1S/C21H15N5O.C17H10ClN3O.C16H12ClN3O.C5H7N/c1-13-7-10-26(25-13)21-16(12-17-19(27)6-9-23-20(17)24-21)14-4-5-18-15(11-14)3-2-8-22-18;18-16-12(9-13-15(22)5-7-20-17(13)21-16)10-3-4-14-11(8-10)2-1-6-19-14;1-9(21)12-8-13(15(17)20-16(12)18)10-4-5-14-11(7-10)3-2-6-19-14;1-5-3-2-4-6-5/h2-12H,1H3,(H,23,24,27);1-9H,(H,20,21,22);2-8H,1H3,(H2,18,20);2-3H,4H2,1H3
InChIKeyGABIADJUJQNEOS-UHFFFAOYSA-N
XLogP12.18
TPSA216.33 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001039.99
LogP ≤ 512.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 1-(2-amino-6-chloro-5-quinolin-6-yl-3-pyridinyl)ethanone;7-chloro-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(3-methylpyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;5-methyl-2H-pyrrole with MolForge

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Launch Full Analysis

Related Compounds

US10301284, Example 72
CID 134178607
6-(8-fluoro-3-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one
CID 137437997
6-(8-fluoro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one
CID 137438281
6-(8-chloro-4-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one
CID 137438519
6-(8-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one
CID 137438750
6-(3-fluoroquinolin-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one
CID 154604820
6-(3-fluoroquinolin-6-yl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one
CID 154604987
1-[3-(3-fluoroquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]pyrazole-4-carbonitrile
CID 154657729
1-[3-(3-fluoroquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]-3-methylpyrazole-4-carbonitrile
CID 154657785
6-(8-chloroquinolin-6-yl)-7-[2-[[8-fluoro-6-(5-oxo-2-pyridin-4-yl-8H-1,8-naphthyridin-3-yl)quinolin-4-yl]methyl]-4-pyridinyl]-1H-1,8-naphthyridin-4-one
CID 155170898
7-[2-[3-chloro-4-[2-(1-methylpyrazol-3-yl)-5-oxo-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]-4-pyridinyl]-6-(3-fluoro-4-pyridinyl)-1H-1,8-naphthyridin-4-one
CID 155170961
2-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]cinnolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 157752991

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-chloro-5-quinolin-6-yl-3-pyridinyl)ethanone;7-chloro-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(3-methylpyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;5-methyl-2H-pyrrole?
The IUPAC name of 1-(2-amino-6-chloro-5-quinolin-6-yl-3-pyridinyl)ethanone;7-chloro-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(3-methylpyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;5-methyl-2H-pyrrole (CID 158193576) is 1-(2-amino-6-chloro-5-quinolin-6-yl-3-pyridinyl)ethanone;7-chloro-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(3-methylpyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;5-methyl-2H-pyrrole.
What is the SMILES notation for 1-(2-amino-6-chloro-5-quinolin-6-yl-3-pyridinyl)ethanone;7-chloro-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(3-methylpyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;5-methyl-2H-pyrrole?
The canonical SMILES for 1-(2-amino-6-chloro-5-quinolin-6-yl-3-pyridinyl)ethanone;7-chloro-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(3-methylpyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;5-methyl-2H-pyrrole is CC(=O)c1cc(-c2ccc3ncccc3c2)c(Cl)nc1N.CC1=NCC=C1.Cc1ccn(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)n1.O=c1cc[nH]c2nc(Cl)c(-c3ccc4ncccc4c3)cc12.
What is the InChIKey of 1-(2-amino-6-chloro-5-quinolin-6-yl-3-pyridinyl)ethanone;7-chloro-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(3-methylpyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;5-methyl-2H-pyrrole?
The InChIKey is GABIADJUJQNEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O.C17H10ClN3O.C16H12ClN3O.C5H7N/c1-13-7-10-26(25-13)21-16(12-17-19(27)6-9-23-20(17)24-21)14-4-5-18-15(11-14)3-2-8-22-18;18-16-12(9-13-15(22)5-7-20-17(13)21-16)10-3-4-14-11(8-10)2-1-6-19-14;1-9(21)12-8-13(15(17)20-16(12)18)10-4-5-14-11(7-10)3-2-6-19-14;1-5-3-2-4-6-5/h2-12H,1H3,(H,23,24,27);1-9H,(H,20,21,22);2-8H,1H3,(H2,18,20);2-3H,4H2,1H3.
What are the key properties of 1-(2-amino-6-chloro-5-quinolin-6-yl-3-pyridinyl)ethanone;7-chloro-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(3-methylpyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;5-methyl-2H-pyrrole?
1-(2-amino-6-chloro-5-quinolin-6-yl-3-pyridinyl)ethanone;7-chloro-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(3-methylpyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;5-methyl-2H-pyrrole has a molecular weight of 1039.99 g/mol, XLogP of 12.18, 5 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-chloro-5-quinolin-6-yl-3-pyridinyl)ethanone;7-chloro-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(3-methylpyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;5-methyl-2H-pyrrole is sourced from PubChem (CID 158193576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).