N-[5-[9-(1,3-benzoxazol-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[5-(9-isoquinolin-7-yl-2-oxobenzo[h][1,6]naphthyridin-1-yl)-2-methylphenyl]but-2-enamide;N-[5-[9-(isoquinolin-6-ylmethyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;N-[5-[9-(isoquinolin-7-ylmethyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;N-[2-methyl-5-[2-oxo-9-(quinolin-7-ylmethyl)benzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide

C159H121N21O11 — CID 158244944

About N-[5-[9-(1,3-benzoxazol-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[5-(9-isoquinolin-7-yl-2-oxobenzo[h][1,6]naphthyridin-1-yl)-2-methylphenyl]but-2-enamide;N-[5-[9-(isoquinolin-6-ylmethyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;N-[5-[9-(isoquinolin-7-ylmethyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;N-[2-methyl-5-[2-oxo-9-(quinolin-7-ylmethyl)benzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide

N-[5-[9-(1,3-benzoxazol-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[5-(9-isoquinolin-7-yl-2-oxobenzo[h][1,6]naphthyridin-1-yl)-2-methylphenyl]but-2-enamide;N-[5-[9-(isoquinolin-6-ylmethyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;N-[5-[9-(isoquinolin-7-ylmethyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;N-[2-methyl-5-[2-oxo-9-(quinolin-7-ylmethyl)benzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide (PubChem CID 158244944) has the molecular formula C159H121N21O11 and a molecular weight of 2501.85 g/mol. Its IUPAC name is N-[5-[9-(1,3-benzoxazol-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[5-(9-isoquinolin-7-yl-2-oxobenzo[h][1,6]naphthyridin-1-yl)-2-methylphenyl]but-2-enamide;N-[5-[9-(isoquinolin-6-ylmethyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;N-[5-[9-(isoquinolin-7-ylmethyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;N-[2-methyl-5-[2-oxo-9-(quinolin-7-ylmethyl)benzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[5-[9-(1,3-benzoxazol-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[5-(9-isoquinolin-7-yl-2-oxobenzo[h][1,6]naphthyridin-1-yl)-2-methylphenyl]but-2-enamide;N-[5-[9-(isoquinolin-6-ylmethyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;N-[5-[9-(isoquinolin-7-ylmethyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;N-[2-methyl-5-[2-oxo-9-(quinolin-7-ylmethyl)benzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide
• PubChem CID: 158244944
• Molecular Formula: C159H121N21O11
• Molecular Weight: 2501.85 g/mol
• Exact Mass: 2499.96
• IUPAC Name: N-[5-[9-(1,3-benzoxazol-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[5-(9-isoquinolin-7-yl-2-oxobenzo[h][1,6]naphthyridin-1-yl)-2-methylphenyl]but-2-enamide;N-[5-[9-(isoquinolin-6-ylmethyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;N-[5-[9-(isoquinolin-7-ylmethyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;N-[2-methyl-5-[2-oxo-9-(quinolin-7-ylmethyl)benzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5ccc6ocnc6c5)cc4c32)ccc1C.C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(Cc5ccc6cccnc6c5)cc4c32)ccc1C.C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(Cc5ccc6ccncc6c5)cc4c32)ccc1C.C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(Cc5ccc6cnccc6c5)cc4c32)ccc1C.Cc1ccc(-n2c(=O)ccc3cnc4ccc(-c5ccc6ccncc6c5)cc4c32)cc1NC(=O)/C=C/CN(C)C
• InChI: InChI=1S/C34H29N5O2.3C32H24N4O2.C29H20N4O3/c1-22-6-11-28(19-31(22)37-32(40)5-4-16-38(2)3)39-33(41)13-10-26-21-36-30-12-9-25(18-29(30)34(26)39)24-8-7-23-14-15-35-20-27(23)17-24;1-3-30(37)35-29-17-26(9-4-20(29)2)36-31(38)11-8-25-19-34-28-10-6-22(16-27(28)32(25)36)14-21-5-7-24-18-33-13-12-23(24)15-21;1-3-30(37)35-29-17-26(9-4-20(29)2)36-31(38)11-8-24-19-34-28-10-6-22(16-27(28)32(24)36)14-21-5-7-23-12-13-33-18-25(23)15-21;1-3-30(37)35-28-18-25(11-6-20(28)2)36-31(38)13-10-24-19-34-27-12-8-21(16-26(27)32(24)36)15-22-7-9-23-5-4-14-33-29(23)17-22;1-3-27(34)32-24-14-21(8-4-17(24)2)33-28(35)11-7-20-15-30-23-9-5-18(12-22(23)29(20)33)19-6-10-26-25(13-19)31-16-36-26/h4-15,17-21H,16H2,1-3H3,(H,37,40);2*3-13,15-19H,1,14H2,2H3,(H,35,37);3-14,16-19H,1,15H2,2H3,(H,35,37);3-16H,1H2,2H3,(H,32,34)/b5-4+
• InChIKey: GFZSFWYJPLRNCF-ZIDOSWBXSA-N
• XLogP: 30.23
• TPSA: 400.78 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 25
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2501.85
LogP ≤ 5	30.23
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[9-(1,3-benzoxazol-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[5-(9-isoquinolin-7-yl-2-oxobenzo[h][1,6]naphthyridin-1-yl)-2-methylphenyl]but-2-enamide;N-[5-[9-(isoquinolin-6-ylmethyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;N-[5-[9-(isoquinolin-7-ylmethyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;N-[2-methyl-5-[2-oxo-9-(quinolin-7-ylmethyl)benzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide?

The IUPAC name of N-[5-[9-(1,3-benzoxazol-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[5-(9-isoquinolin-7-yl-2-oxobenzo[h][1,6]naphthyridin-1-yl)-2-methylphenyl]but-2-enamide;N-[5-[9-(isoquinolin-6-ylmethyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;N-[5-[9-(isoquinolin-7-ylmethyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;N-[2-methyl-5-[2-oxo-9-(quinolin-7-ylmethyl)benzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide (CID 158244944) is N-[5-[9-(1,3-benzoxazol-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[5-(9-isoquinolin-7-yl-2-oxobenzo[h][1,6]naphthyridin-1-yl)-2-methylphenyl]but-2-enamide;N-[5-[9-(isoquinolin-6-ylmethyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;N-[5-[9-(isoquinolin-7-ylmethyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;N-[2-methyl-5-[2-oxo-9-(quinolin-7-ylmethyl)benzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide.

What is the SMILES notation for N-[5-[9-(1,3-benzoxazol-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[5-(9-isoquinolin-7-yl-2-oxobenzo[h][1,6]naphthyridin-1-yl)-2-methylphenyl]but-2-enamide;N-[5-[9-(isoquinolin-6-ylmethyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;N-[5-[9-(isoquinolin-7-ylmethyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;N-[2-methyl-5-[2-oxo-9-(quinolin-7-ylmethyl)benzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide?

The canonical SMILES for N-[5-[9-(1,3-benzoxazol-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[5-(9-isoquinolin-7-yl-2-oxobenzo[h][1,6]naphthyridin-1-yl)-2-methylphenyl]but-2-enamide;N-[5-[9-(isoquinolin-6-ylmethyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;N-[5-[9-(isoquinolin-7-ylmethyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;N-[2-methyl-5-[2-oxo-9-(quinolin-7-ylmethyl)benzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5ccc6ocnc6c5)cc4c32)ccc1C.C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(Cc5ccc6cccnc6c5)cc4c32)ccc1C.C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(Cc5ccc6ccncc6c5)cc4c32)ccc1C.C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(Cc5ccc6cnccc6c5)cc4c32)ccc1C.Cc1ccc(-n2c(=O)ccc3cnc4ccc(-c5ccc6ccncc6c5)cc4c32)cc1NC(=O)/C=C/CN(C)C.

What is the InChIKey of N-[5-[9-(1,3-benzoxazol-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[5-(9-isoquinolin-7-yl-2-oxobenzo[h][1,6]naphthyridin-1-yl)-2-methylphenyl]but-2-enamide;N-[5-[9-(isoquinolin-6-ylmethyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;N-[5-[9-(isoquinolin-7-ylmethyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;N-[2-methyl-5-[2-oxo-9-(quinolin-7-ylmethyl)benzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide?

The InChIKey is GFZSFWYJPLRNCF-ZIDOSWBXSA-N. The full InChI is InChI=1S/C34H29N5O2.3C32H24N4O2.C29H20N4O3/c1-22-6-11-28(19-31(22)37-32(40)5-4-16-38(2)3)39-33(41)13-10-26-21-36-30-12-9-25(18-29(30)34(26)39)24-8-7-23-14-15-35-20-27(23)17-24;1-3-30(37)35-29-17-26(9-4-20(29)2)36-31(38)11-8-25-19-34-28-10-6-22(16-27(28)32(25)36)14-21-5-7-24-18-33-13-12-23(24)15-21;1-3-30(37)35-29-17-26(9-4-20(29)2)36-31(38)11-8-24-19-34-28-10-6-22(16-27(28)32(24)36)14-21-5-7-23-12-13-33-18-25(23)15-21;1-3-30(37)35-28-18-25(11-6-20(28)2)36-31(38)13-10-24-19-34-27-12-8-21(16-26(27)32(24)36)15-22-7-9-23-5-4-14-33-29(23)17-22;1-3-27(34)32-24-14-21(8-4-17(24)2)33-28(35)11-7-20-15-30-23-9-5-18(12-22(23)29(20)33)19-6-10-26-25(13-19)31-16-36-26/h4-15,17-21H,16H2,1-3H3,(H,37,40);2*3-13,15-19H,1,14H2,2H3,(H,35,37);3-14,16-19H,1,15H2,2H3,(H,35,37);3-16H,1H2,2H3,(H,32,34)/b5-4+;;;;.

What are the key properties of N-[5-[9-(1,3-benzoxazol-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[5-(9-isoquinolin-7-yl-2-oxobenzo[h][1,6]naphthyridin-1-yl)-2-methylphenyl]but-2-enamide;N-[5-[9-(isoquinolin-6-ylmethyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;N-[5-[9-(isoquinolin-7-ylmethyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;N-[2-methyl-5-[2-oxo-9-(quinolin-7-ylmethyl)benzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide?

N-[5-[9-(1,3-benzoxazol-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[5-(9-isoquinolin-7-yl-2-oxobenzo[h][1,6]naphthyridin-1-yl)-2-methylphenyl]but-2-enamide;N-[5-[9-(isoquinolin-6-ylmethyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;N-[5-[9-(isoquinolin-7-ylmethyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;N-[2-methyl-5-[2-oxo-9-(quinolin-7-ylmethyl)benzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide has a molecular weight of 2501.85 g/mol, XLogP of 30.23, 25 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[9-(1,3-benzoxazol-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[5-(9-isoquinolin-7-yl-2-oxobenzo[h][1,6]naphthyridin-1-yl)-2-methylphenyl]but-2-enamide;N-[5-[9-(isoquinolin-6-ylmethyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;N-[5-[9-(isoquinolin-7-ylmethyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;N-[2-methyl-5-[2-oxo-9-(quinolin-7-ylmethyl)benzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 158244944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).