7-(3,5-dimethyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(4,5-dimethyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methyl-1,3,4-oxadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methyl-1,3,4-thiadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-quinolin-6-yl-7-(2H-triazol-4-yl)-1H-1,8-naphthyridin-4-one

C125H88N30O7S — CID 158332643

IUPAC7-(3,5-dimethyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(4,5-dimethyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methyl-1,3,4-oxadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methyl-1,3,4-thiadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-quinolin-6-yl-7-(2H-triazol-4-yl)-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)[nH]c1C.Cc1cc(C)c(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)[nH]1.Cc1nnc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)o1.Cc1nnc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)s1.Cn1ncc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)n1.O=c1cc[nH]c2nc(-c3cn[nH]n3)c(-c3ccc4ncccc4c3)cc12
InChIInChI=1S/2C23H18N4O.C20H14N6O.C20H13N5O2.C20H13N5OS.C19H12N6O/c1-13-10-20(26-14(13)2)22-17(12-18-21(28)7-9-25-23(18)27-22)15-5-6-19-16(11-15)4-3-8-24-19;1-13-10-14(2)26-21(13)22-17(12-18-20(28)7-9-25-23(18)27-22)15-5-6-19-16(11-15)4-3-8-24-19;1-26-23-11-17(25-26)19-14(10-15-18(27)6-8-22-20(15)24-19)12-4-5-16-13(9-12)3-2-7-21-16;2*1-11-24-25-20(27-11)18-14(10-15-17(26)6-8-22-19(15)23-18)12-4-5-16-13(9-12)3-2-7-21-16;26-17-5-7-21-19-14(17)9-13(18(23-19)16-10-22-25-24-16)11-3-4-15-12(8-11)2-1-6-20-15/h2*3-12,26H,1-2H3,(H,25,27,28);2-11H,1H3,(H,22,24,27);2*2-10H,1H3,(H,22,23,26);1-10H,(H,21,23,26)(H,22,24,25)
InChIKeyGQETWODSIVXCQF-UHFFFAOYSA-N
MW2154.35 g/mol
LogP22.82
Rot. Bonds12

About 7-(3,5-dimethyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(4,5-dimethyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methyl-1,3,4-oxadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methyl-1,3,4-thiadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-quinolin-6-yl-7-(2H-triazol-4-yl)-1H-1,8-naphthyridin-4-one

7-(3,5-dimethyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(4,5-dimethyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methyl-1,3,4-oxadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methyl-1,3,4-thiadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-quinolin-6-yl-7-(2H-triazol-4-yl)-1H-1,8-naphthyridin-4-one (PubChem CID 158332643) has the molecular formula C125H88N30O7S and a molecular weight of 2154.35 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(4,5-dimethyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methyl-1,3,4-oxadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methyl-1,3,4-thiadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-quinolin-6-yl-7-(2H-triazol-4-yl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-(3,5-dimethyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(4,5-dimethyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methyl-1,3,4-oxadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methyl-1,3,4-thiadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-quinolin-6-yl-7-(2H-triazol-4-yl)-1H-1,8-naphthyridin-4-one
PubChem CID158332643
Molecular FormulaC125H88N30O7S
Molecular Weight2154.35 g/mol
Exact Mass2152.72
IUPAC Name7-(3,5-dimethyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(4,5-dimethyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methyl-1,3,4-oxadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methyl-1,3,4-thiadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-quinolin-6-yl-7-(2H-triazol-4-yl)-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)[nH]c1C.Cc1cc(C)c(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)[nH]1.Cc1nnc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)o1.Cc1nnc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)s1.Cn1ncc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)n1.O=c1cc[nH]c2nc(-c3cn[nH]n3)c(-c3ccc4ncccc4c3)cc12
InChIInChI=1S/2C23H18N4O.C20H14N6O.C20H13N5O2.C20H13N5OS.C19H12N6O/c1-13-10-20(26-14(13)2)22-17(12-18-21(28)7-9-25-23(18)27-22)15-5-6-19-16(11-15)4-3-8-24-19;1-13-10-14(2)26-21(13)22-17(12-18-20(28)7-9-25-23(18)27-22)15-5-6-19-16(11-15)4-3-8-24-19;1-26-23-11-17(25-26)19-14(10-15-18(27)6-8-22-20(15)24-19)12-4-5-16-13(9-12)3-2-7-21-16;2*1-11-24-25-20(27-11)18-14(10-15-17(26)6-8-22-19(15)23-18)12-4-5-16-13(9-12)3-2-7-21-16;26-17-5-7-21-19-14(17)9-13(18(23-19)16-10-22-25-24-16)11-3-4-15-12(8-11)2-1-6-20-15/h2*3-12,26H,1-2H3,(H,25,27,28);2-11H,1H3,(H,22,24,27);2*2-10H,1H3,(H,22,23,26);1-10H,(H,21,23,26)(H,22,24,25)
InChIKeyGQETWODSIVXCQF-UHFFFAOYSA-N
XLogP22.82
TPSA520.40 Ų
H-Bond Donors9
H-Bond Acceptors29
Rotatable Bonds12
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002154.35
LogP ≤ 522.82
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1029

Analyze 7-(3,5-dimethyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(4,5-dimethyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methyl-1,3,4-oxadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methyl-1,3,4-thiadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-quinolin-6-yl-7-(2H-triazol-4-yl)-1H-1,8-naphthyridin-4-one with MolForge

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Related Compounds

6-(1,3-benzothiazol-6-yl)-7-(3,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(2-methyltriazol-4-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(2H-triazol-4-yl)-1H-1,8-naphthyridin-4-one
CID 158206421
3-amino-N-benzylquinoxaline-2-carboxamide;3-amino-N-[[3-(dimethylamino)phenyl]methyl]quinoxaline-2-carboxamide;bis(3-amino-N-[(3-methylphenyl)methyl]quinoxaline-2-carboxamide);3-amino-N-(1-phenylethyl)quinoxaline-2-carboxamide;3-[5-(2-aminophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;bis(3-(5-methyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine);3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine
CID 158428423
4-(1-benzyltriazol-4-yl)-12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-(2,3-dimethylimidazol-4-yl)-12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(piperidin-1-ylmethyl)phenyl]-4-(3H-pyrazol-5-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;2-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,3,4-oxadiazole;2-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,3,4-thiadiazole;12-[4-(piperidin-1-ylmethyl)phenyl]-4-(3H-1,2,4-triazol-5-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 159826250

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(4,5-dimethyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methyl-1,3,4-oxadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methyl-1,3,4-thiadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-quinolin-6-yl-7-(2H-triazol-4-yl)-1H-1,8-naphthyridin-4-one?
The IUPAC name of 7-(3,5-dimethyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(4,5-dimethyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methyl-1,3,4-oxadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methyl-1,3,4-thiadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-quinolin-6-yl-7-(2H-triazol-4-yl)-1H-1,8-naphthyridin-4-one (CID 158332643) is 7-(3,5-dimethyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(4,5-dimethyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methyl-1,3,4-oxadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methyl-1,3,4-thiadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-quinolin-6-yl-7-(2H-triazol-4-yl)-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-(3,5-dimethyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(4,5-dimethyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methyl-1,3,4-oxadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methyl-1,3,4-thiadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-quinolin-6-yl-7-(2H-triazol-4-yl)-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 7-(3,5-dimethyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(4,5-dimethyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methyl-1,3,4-oxadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methyl-1,3,4-thiadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-quinolin-6-yl-7-(2H-triazol-4-yl)-1H-1,8-naphthyridin-4-one is Cc1cc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)[nH]c1C.Cc1cc(C)c(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)[nH]1.Cc1nnc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)o1.Cc1nnc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)s1.Cn1ncc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)n1.O=c1cc[nH]c2nc(-c3cn[nH]n3)c(-c3ccc4ncccc4c3)cc12.
What is the InChIKey of 7-(3,5-dimethyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(4,5-dimethyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methyl-1,3,4-oxadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methyl-1,3,4-thiadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-quinolin-6-yl-7-(2H-triazol-4-yl)-1H-1,8-naphthyridin-4-one?
The InChIKey is GQETWODSIVXCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H18N4O.C20H14N6O.C20H13N5O2.C20H13N5OS.C19H12N6O/c1-13-10-20(26-14(13)2)22-17(12-18-21(28)7-9-25-23(18)27-22)15-5-6-19-16(11-15)4-3-8-24-19;1-13-10-14(2)26-21(13)22-17(12-18-20(28)7-9-25-23(18)27-22)15-5-6-19-16(11-15)4-3-8-24-19;1-26-23-11-17(25-26)19-14(10-15-18(27)6-8-22-20(15)24-19)12-4-5-16-13(9-12)3-2-7-21-16;2*1-11-24-25-20(27-11)18-14(10-15-17(26)6-8-22-19(15)23-18)12-4-5-16-13(9-12)3-2-7-21-16;26-17-5-7-21-19-14(17)9-13(18(23-19)16-10-22-25-24-16)11-3-4-15-12(8-11)2-1-6-20-15/h2*3-12,26H,1-2H3,(H,25,27,28);2-11H,1H3,(H,22,24,27);2*2-10H,1H3,(H,22,23,26);1-10H,(H,21,23,26)(H,22,24,25).
What are the key properties of 7-(3,5-dimethyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(4,5-dimethyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methyl-1,3,4-oxadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methyl-1,3,4-thiadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-quinolin-6-yl-7-(2H-triazol-4-yl)-1H-1,8-naphthyridin-4-one?
7-(3,5-dimethyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(4,5-dimethyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methyl-1,3,4-oxadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methyl-1,3,4-thiadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-quinolin-6-yl-7-(2H-triazol-4-yl)-1H-1,8-naphthyridin-4-one has a molecular weight of 2154.35 g/mol, XLogP of 22.82, 12 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(4,5-dimethyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methyl-1,3,4-oxadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methyl-1,3,4-thiadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-quinolin-6-yl-7-(2H-triazol-4-yl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 158332643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).