6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(1H-imidazo[4,5-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-([1,3]oxazolo[5,4-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;7-phenyl-6-(5,6,7,8-tetrahydroquinolin-6-yl)-1H-1,8-naphthyridin-2-one;7-phenyl-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-1,8-naphthyridin-2-one

C127H101N23O7S — CID 159373539

IUPAC6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(1H-imidazo[4,5-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-([1,3]oxazolo[5,4-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;7-phenyl-6-(5,6,7,8-tetrahydroquinolin-6-yl)-1H-1,8-naphthyridin-2-one;7-phenyl-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2cc(-c3nc4cccnc4o3)c(-c3ccccc3)nc2[nH]1.O=c1ccc2cc(-c3nc4cccnc4s3)c(-c3ccccc3)nc2[nH]1.O=c1ccc2cc(-c3nc4ncccc4[nH]3)c(-c3ccccc3)nc2[nH]1.O=c1ccc2cc(C3CCC4N=CNC4C3)c(-c3ccccc3)nc2[nH]1.O=c1ccc2cc(C3CCC4NCCCC4C3)c(-c3ccccc3)nc2[nH]1.O=c1ccc2cc(C3CCc4ncccc4C3)c(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C23H25N3O.C23H19N3O.C21H20N4O.C20H13N5O.C20H12N4O2.C20H12N4OS/c2*27-21-11-9-18-14-19(16-8-10-20-17(13-16)7-4-12-24-20)22(26-23(18)25-21)15-5-2-1-3-6-15;26-19-9-7-15-10-16(14-6-8-17-18(11-14)23-12-22-17)20(25-21(15)24-19)13-4-2-1-3-5-13;26-16-9-8-13-11-14(19-22-15-7-4-10-21-20(15)25-19)17(24-18(13)23-16)12-5-2-1-3-6-12;2*25-16-9-8-13-11-14(19-22-15-7-4-10-21-20(15)26-19)17(24-18(13)23-16)12-5-2-1-3-6-12/h1-3,5-6,9,11,14,16-17,20,24H,4,7-8,10,12-13H2,(H,25,26,27);1-7,9,11-12,14,16H,8,10,13H2,(H,25,26,27);1-5,7,9-10,12,14,17-18H,6,8,11H2,(H,22,23)(H,24,25,26);1-11H,(H,21,22,25)(H,23,24,26);2*1-11H,(H,23,24,25)
InChIKeyLKALZFWEHYYYSA-UHFFFAOYSA-N
MW2093.43 g/mol
LogP23.29
Rot. Bonds12

About 6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(1H-imidazo[4,5-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-([1,3]oxazolo[5,4-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;7-phenyl-6-(5,6,7,8-tetrahydroquinolin-6-yl)-1H-1,8-naphthyridin-2-one;7-phenyl-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-1,8-naphthyridin-2-one

6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(1H-imidazo[4,5-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-([1,3]oxazolo[5,4-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;7-phenyl-6-(5,6,7,8-tetrahydroquinolin-6-yl)-1H-1,8-naphthyridin-2-one;7-phenyl-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-1,8-naphthyridin-2-one (PubChem CID 159373539) has the molecular formula C127H101N23O7S and a molecular weight of 2093.43 g/mol. Its IUPAC name is 6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(1H-imidazo[4,5-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-([1,3]oxazolo[5,4-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;7-phenyl-6-(5,6,7,8-tetrahydroquinolin-6-yl)-1H-1,8-naphthyridin-2-one;7-phenyl-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(1H-imidazo[4,5-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-([1,3]oxazolo[5,4-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;7-phenyl-6-(5,6,7,8-tetrahydroquinolin-6-yl)-1H-1,8-naphthyridin-2-one;7-phenyl-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-1,8-naphthyridin-2-one
PubChem CID159373539
Molecular FormulaC127H101N23O7S
Molecular Weight2093.43 g/mol
Exact Mass2091.80
IUPAC Name6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(1H-imidazo[4,5-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-([1,3]oxazolo[5,4-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;7-phenyl-6-(5,6,7,8-tetrahydroquinolin-6-yl)-1H-1,8-naphthyridin-2-one;7-phenyl-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2cc(-c3nc4cccnc4o3)c(-c3ccccc3)nc2[nH]1.O=c1ccc2cc(-c3nc4cccnc4s3)c(-c3ccccc3)nc2[nH]1.O=c1ccc2cc(-c3nc4ncccc4[nH]3)c(-c3ccccc3)nc2[nH]1.O=c1ccc2cc(C3CCC4N=CNC4C3)c(-c3ccccc3)nc2[nH]1.O=c1ccc2cc(C3CCC4NCCCC4C3)c(-c3ccccc3)nc2[nH]1.O=c1ccc2cc(C3CCc4ncccc4C3)c(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C23H25N3O.C23H19N3O.C21H20N4O.C20H13N5O.C20H12N4O2.C20H12N4OS/c2*27-21-11-9-18-14-19(16-8-10-20-17(13-16)7-4-12-24-20)22(26-23(18)25-21)15-5-2-1-3-6-15;26-19-9-7-15-10-16(14-6-8-17-18(11-14)23-12-22-17)20(25-21(15)24-19)13-4-2-1-3-5-13;26-16-9-8-13-11-14(19-22-15-7-4-10-21-20(15)25-19)17(24-18(13)23-16)12-5-2-1-3-6-12;2*25-16-9-8-13-11-14(19-22-15-7-4-10-21-20(15)26-19)17(24-18(13)23-16)12-5-2-1-3-6-12/h1-3,5-6,9,11,14,16-17,20,24H,4,7-8,10,12-13H2,(H,25,26,27);1-7,9,11-12,14,16H,8,10,13H2,(H,25,26,27);1-5,7,9-10,12,14,17-18H,6,8,11H2,(H,22,23)(H,24,25,26);1-11H,(H,21,22,25)(H,23,24,26);2*1-11H,(H,23,24,25)
InChIKeyLKALZFWEHYYYSA-UHFFFAOYSA-N
XLogP23.29
TPSA430.08 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002093.43
LogP ≤ 523.29
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

Analyze 6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(1H-imidazo[4,5-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-([1,3]oxazolo[5,4-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;7-phenyl-6-(5,6,7,8-tetrahydroquinolin-6-yl)-1H-1,8-naphthyridin-2-one;7-phenyl-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-1,8-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(1H-imidazo[4,5-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-([1,3]oxazolo[5,4-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;7-phenyl-6-(5,6,7,8-tetrahydroquinolin-6-yl)-1H-1,8-naphthyridin-2-one;7-phenyl-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(1H-imidazo[4,5-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-([1,3]oxazolo[5,4-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;7-phenyl-6-(5,6,7,8-tetrahydroquinolin-6-yl)-1H-1,8-naphthyridin-2-one;7-phenyl-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-1,8-naphthyridin-2-one (CID 159373539) is 6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(1H-imidazo[4,5-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-([1,3]oxazolo[5,4-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;7-phenyl-6-(5,6,7,8-tetrahydroquinolin-6-yl)-1H-1,8-naphthyridin-2-one;7-phenyl-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(1H-imidazo[4,5-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-([1,3]oxazolo[5,4-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;7-phenyl-6-(5,6,7,8-tetrahydroquinolin-6-yl)-1H-1,8-naphthyridin-2-one;7-phenyl-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(1H-imidazo[4,5-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-([1,3]oxazolo[5,4-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;7-phenyl-6-(5,6,7,8-tetrahydroquinolin-6-yl)-1H-1,8-naphthyridin-2-one;7-phenyl-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-1,8-naphthyridin-2-one is O=c1ccc2cc(-c3nc4cccnc4o3)c(-c3ccccc3)nc2[nH]1.O=c1ccc2cc(-c3nc4cccnc4s3)c(-c3ccccc3)nc2[nH]1.O=c1ccc2cc(-c3nc4ncccc4[nH]3)c(-c3ccccc3)nc2[nH]1.O=c1ccc2cc(C3CCC4N=CNC4C3)c(-c3ccccc3)nc2[nH]1.O=c1ccc2cc(C3CCC4NCCCC4C3)c(-c3ccccc3)nc2[nH]1.O=c1ccc2cc(C3CCc4ncccc4C3)c(-c3ccccc3)nc2[nH]1.
What is the InChIKey of 6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(1H-imidazo[4,5-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-([1,3]oxazolo[5,4-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;7-phenyl-6-(5,6,7,8-tetrahydroquinolin-6-yl)-1H-1,8-naphthyridin-2-one;7-phenyl-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-1,8-naphthyridin-2-one?
The InChIKey is LKALZFWEHYYYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O.C23H19N3O.C21H20N4O.C20H13N5O.C20H12N4O2.C20H12N4OS/c2*27-21-11-9-18-14-19(16-8-10-20-17(13-16)7-4-12-24-20)22(26-23(18)25-21)15-5-2-1-3-6-15;26-19-9-7-15-10-16(14-6-8-17-18(11-14)23-12-22-17)20(25-21(15)24-19)13-4-2-1-3-5-13;26-16-9-8-13-11-14(19-22-15-7-4-10-21-20(15)25-19)17(24-18(13)23-16)12-5-2-1-3-6-12;2*25-16-9-8-13-11-14(19-22-15-7-4-10-21-20(15)26-19)17(24-18(13)23-16)12-5-2-1-3-6-12/h1-3,5-6,9,11,14,16-17,20,24H,4,7-8,10,12-13H2,(H,25,26,27);1-7,9,11-12,14,16H,8,10,13H2,(H,25,26,27);1-5,7,9-10,12,14,17-18H,6,8,11H2,(H,22,23)(H,24,25,26);1-11H,(H,21,22,25)(H,23,24,26);2*1-11H,(H,23,24,25).
What are the key properties of 6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(1H-imidazo[4,5-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-([1,3]oxazolo[5,4-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;7-phenyl-6-(5,6,7,8-tetrahydroquinolin-6-yl)-1H-1,8-naphthyridin-2-one;7-phenyl-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-1,8-naphthyridin-2-one?
6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(1H-imidazo[4,5-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-([1,3]oxazolo[5,4-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;7-phenyl-6-(5,6,7,8-tetrahydroquinolin-6-yl)-1H-1,8-naphthyridin-2-one;7-phenyl-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-1,8-naphthyridin-2-one has a molecular weight of 2093.43 g/mol, XLogP of 23.29, 12 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(1H-imidazo[4,5-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-([1,3]oxazolo[5,4-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;7-phenyl-6-(5,6,7,8-tetrahydroquinolin-6-yl)-1H-1,8-naphthyridin-2-one;7-phenyl-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 159373539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).