2-[7-(3-hydroxynaphthalen-1-yl)-2-oxo-3-(1-prop-2-enoylazetidin-3-yl)-4H-quinazolin-1-yl]acetamide;1-[3-[7-(3-hydroxynaphthalen-1-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]azetidin-1-yl]prop-2-en-1-one;2-[7-(5-methyl-1H-indazol-4-yl)-2-oxo-3-(1-prop-2-enoylazetidin-3-yl)-4H-quinazolin-1-yl]acetamide;7-(5-methyl-1H-indazol-4-yl)-3-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydroquinazolin-2-one;1-[3-[7-(5-methyl-1H-indazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]azetidin-1-yl]prop-2-en-1-one

C122H121N21O12 — CID 158476858

About 2-[7-(3-hydroxynaphthalen-1-yl)-2-oxo-3-(1-prop-2-enoylazetidin-3-yl)-4H-quinazolin-1-yl]acetamide;1-[3-[7-(3-hydroxynaphthalen-1-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]azetidin-1-yl]prop-2-en-1-one;2-[7-(5-methyl-1H-indazol-4-yl)-2-oxo-3-(1-prop-2-enoylazetidin-3-yl)-4H-quinazolin-1-yl]acetamide;7-(5-methyl-1H-indazol-4-yl)-3-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydroquinazolin-2-one;1-[3-[7-(5-methyl-1H-indazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]azetidin-1-yl]prop-2-en-1-one

2-[7-(3-hydroxynaphthalen-1-yl)-2-oxo-3-(1-prop-2-enoylazetidin-3-yl)-4H-quinazolin-1-yl]acetamide;1-[3-[7-(3-hydroxynaphthalen-1-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]azetidin-1-yl]prop-2-en-1-one;2-[7-(5-methyl-1H-indazol-4-yl)-2-oxo-3-(1-prop-2-enoylazetidin-3-yl)-4H-quinazolin-1-yl]acetamide;7-(5-methyl-1H-indazol-4-yl)-3-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydroquinazolin-2-one;1-[3-[7-(5-methyl-1H-indazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]azetidin-1-yl]prop-2-en-1-one (PubChem CID 158476858) has the molecular formula C122H121N21O12 and a molecular weight of 2073.44 g/mol. Its IUPAC name is 2-[7-(3-hydroxynaphthalen-1-yl)-2-oxo-3-(1-prop-2-enoylazetidin-3-yl)-4H-quinazolin-1-yl]acetamide;1-[3-[7-(3-hydroxynaphthalen-1-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]azetidin-1-yl]prop-2-en-1-one;2-[7-(5-methyl-1H-indazol-4-yl)-2-oxo-3-(1-prop-2-enoylazetidin-3-yl)-4H-quinazolin-1-yl]acetamide;7-(5-methyl-1H-indazol-4-yl)-3-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydroquinazolin-2-one;1-[3-[7-(5-methyl-1H-indazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]azetidin-1-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: 2-[7-(3-hydroxynaphthalen-1-yl)-2-oxo-3-(1-prop-2-enoylazetidin-3-yl)-4H-quinazolin-1-yl]acetamide;1-[3-[7-(3-hydroxynaphthalen-1-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]azetidin-1-yl]prop-2-en-1-one;2-[7-(5-methyl-1H-indazol-4-yl)-2-oxo-3-(1-prop-2-enoylazetidin-3-yl)-4H-quinazolin-1-yl]acetamide;7-(5-methyl-1H-indazol-4-yl)-3-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydroquinazolin-2-one;1-[3-[7-(5-methyl-1H-indazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]azetidin-1-yl]prop-2-en-1-one
• PubChem CID: 158476858
• Molecular Formula: C122H121N21O12
• Molecular Weight: 2073.44 g/mol
• Exact Mass: 2071.95
• IUPAC Name: 2-[7-(3-hydroxynaphthalen-1-yl)-2-oxo-3-(1-prop-2-enoylazetidin-3-yl)-4H-quinazolin-1-yl]acetamide;1-[3-[7-(3-hydroxynaphthalen-1-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]azetidin-1-yl]prop-2-en-1-one;2-[7-(5-methyl-1H-indazol-4-yl)-2-oxo-3-(1-prop-2-enoylazetidin-3-yl)-4H-quinazolin-1-yl]acetamide;7-(5-methyl-1H-indazol-4-yl)-3-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydroquinazolin-2-one;1-[3-[7-(5-methyl-1H-indazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]azetidin-1-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1CC(N2CCCc3cc(-c4c(C)ccc5[nH]ncc45)ccc3C2)C1.C=CC(=O)N1CC(N2CCCc3cc(-c4cc(O)cc5ccccc45)ccc3C2)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4c(C)ccc5[nH]ncc45)cc3N(CC(N)=O)C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4c(C)ccc5[nH]ncc45)cc3NC2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4cc(O)cc5ccccc45)cc3N(CC(N)=O)C2=O)C1
• InChI: InChI=1S/C26H24N4O4.C26H26N2O2.C24H24N6O3.C24H26N4O.C22H21N5O2/c1-2-25(33)28-13-19(14-28)29-12-18-8-7-17(10-23(18)30(26(29)34)15-24(27)32)22-11-20(31)9-16-5-3-4-6-21(16)22;1-2-26(30)28-16-22(17-28)27-11-5-7-18-12-20(9-10-21(18)15-27)25-14-23(29)13-19-6-3-4-8-24(19)25;1-3-22(32)28-11-17(12-28)29-10-16-6-5-15(8-20(16)30(24(29)33)13-21(25)31)23-14(2)4-7-19-18(23)9-26-27-19;1-3-23(29)28-14-20(15-28)27-10-4-5-17-11-18(7-8-19(17)13-27)24-16(2)6-9-22-21(24)12-25-26-22;1-3-20(28)26-11-16(12-26)27-10-15-6-5-14(8-19(15)24-22(27)29)21-13(2)4-7-18-17(21)9-23-25-18/h2-11,19,31H,1,12-15H2,(H2,27,32);2-4,6,8-10,12-14,22,29H,1,5,7,11,15-17H2;3-9,17H,1,10-13H2,2H3,(H2,25,31)(H,26,27);3,6-9,11-12,20H,1,4-5,10,13-15H2,2H3,(H,25,26);3-9,16H,1,10-12H2,2H3,(H,23,25)(H,24,29)
• InChIKey: HHAWWFKMMKZBFK-UHFFFAOYSA-N
• XLogP: 16.32
• TPSA: 400.15 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 19
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2073.44
LogP ≤ 5	16.32
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[7-(3-hydroxynaphthalen-1-yl)-2-oxo-3-(1-prop-2-enoylazetidin-3-yl)-4H-quinazolin-1-yl]acetamide;1-[3-[7-(3-hydroxynaphthalen-1-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]azetidin-1-yl]prop-2-en-1-one;2-[7-(5-methyl-1H-indazol-4-yl)-2-oxo-3-(1-prop-2-enoylazetidin-3-yl)-4H-quinazolin-1-yl]acetamide;7-(5-methyl-1H-indazol-4-yl)-3-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydroquinazolin-2-one;1-[3-[7-(5-methyl-1H-indazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]azetidin-1-yl]prop-2-en-1-one?

The IUPAC name of 2-[7-(3-hydroxynaphthalen-1-yl)-2-oxo-3-(1-prop-2-enoylazetidin-3-yl)-4H-quinazolin-1-yl]acetamide;1-[3-[7-(3-hydroxynaphthalen-1-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]azetidin-1-yl]prop-2-en-1-one;2-[7-(5-methyl-1H-indazol-4-yl)-2-oxo-3-(1-prop-2-enoylazetidin-3-yl)-4H-quinazolin-1-yl]acetamide;7-(5-methyl-1H-indazol-4-yl)-3-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydroquinazolin-2-one;1-[3-[7-(5-methyl-1H-indazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]azetidin-1-yl]prop-2-en-1-one (CID 158476858) is 2-[7-(3-hydroxynaphthalen-1-yl)-2-oxo-3-(1-prop-2-enoylazetidin-3-yl)-4H-quinazolin-1-yl]acetamide;1-[3-[7-(3-hydroxynaphthalen-1-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]azetidin-1-yl]prop-2-en-1-one;2-[7-(5-methyl-1H-indazol-4-yl)-2-oxo-3-(1-prop-2-enoylazetidin-3-yl)-4H-quinazolin-1-yl]acetamide;7-(5-methyl-1H-indazol-4-yl)-3-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydroquinazolin-2-one;1-[3-[7-(5-methyl-1H-indazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]azetidin-1-yl]prop-2-en-1-one.

What is the SMILES notation for 2-[7-(3-hydroxynaphthalen-1-yl)-2-oxo-3-(1-prop-2-enoylazetidin-3-yl)-4H-quinazolin-1-yl]acetamide;1-[3-[7-(3-hydroxynaphthalen-1-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]azetidin-1-yl]prop-2-en-1-one;2-[7-(5-methyl-1H-indazol-4-yl)-2-oxo-3-(1-prop-2-enoylazetidin-3-yl)-4H-quinazolin-1-yl]acetamide;7-(5-methyl-1H-indazol-4-yl)-3-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydroquinazolin-2-one;1-[3-[7-(5-methyl-1H-indazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]azetidin-1-yl]prop-2-en-1-one?

The canonical SMILES for 2-[7-(3-hydroxynaphthalen-1-yl)-2-oxo-3-(1-prop-2-enoylazetidin-3-yl)-4H-quinazolin-1-yl]acetamide;1-[3-[7-(3-hydroxynaphthalen-1-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]azetidin-1-yl]prop-2-en-1-one;2-[7-(5-methyl-1H-indazol-4-yl)-2-oxo-3-(1-prop-2-enoylazetidin-3-yl)-4H-quinazolin-1-yl]acetamide;7-(5-methyl-1H-indazol-4-yl)-3-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydroquinazolin-2-one;1-[3-[7-(5-methyl-1H-indazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]azetidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CC(N2CCCc3cc(-c4c(C)ccc5[nH]ncc45)ccc3C2)C1.C=CC(=O)N1CC(N2CCCc3cc(-c4cc(O)cc5ccccc45)ccc3C2)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4c(C)ccc5[nH]ncc45)cc3N(CC(N)=O)C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4c(C)ccc5[nH]ncc45)cc3NC2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4cc(O)cc5ccccc45)cc3N(CC(N)=O)C2=O)C1.

What is the InChIKey of 2-[7-(3-hydroxynaphthalen-1-yl)-2-oxo-3-(1-prop-2-enoylazetidin-3-yl)-4H-quinazolin-1-yl]acetamide;1-[3-[7-(3-hydroxynaphthalen-1-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]azetidin-1-yl]prop-2-en-1-one;2-[7-(5-methyl-1H-indazol-4-yl)-2-oxo-3-(1-prop-2-enoylazetidin-3-yl)-4H-quinazolin-1-yl]acetamide;7-(5-methyl-1H-indazol-4-yl)-3-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydroquinazolin-2-one;1-[3-[7-(5-methyl-1H-indazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]azetidin-1-yl]prop-2-en-1-one?

The InChIKey is HHAWWFKMMKZBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4.C26H26N2O2.C24H24N6O3.C24H26N4O.C22H21N5O2/c1-2-25(33)28-13-19(14-28)29-12-18-8-7-17(10-23(18)30(26(29)34)15-24(27)32)22-11-20(31)9-16-5-3-4-6-21(16)22;1-2-26(30)28-16-22(17-28)27-11-5-7-18-12-20(9-10-21(18)15-27)25-14-23(29)13-19-6-3-4-8-24(19)25;1-3-22(32)28-11-17(12-28)29-10-16-6-5-15(8-20(16)30(24(29)33)13-21(25)31)23-14(2)4-7-19-18(23)9-26-27-19;1-3-23(29)28-14-20(15-28)27-10-4-5-17-11-18(7-8-19(17)13-27)24-16(2)6-9-22-21(24)12-25-26-22;1-3-20(28)26-11-16(12-26)27-10-15-6-5-14(8-19(15)24-22(27)29)21-13(2)4-7-18-17(21)9-23-25-18/h2-11,19,31H,1,12-15H2,(H2,27,32);2-4,6,8-10,12-14,22,29H,1,5,7,11,15-17H2;3-9,17H,1,10-13H2,2H3,(H2,25,31)(H,26,27);3,6-9,11-12,20H,1,4-5,10,13-15H2,2H3,(H,25,26);3-9,16H,1,10-12H2,2H3,(H,23,25)(H,24,29).

What are the key properties of 2-[7-(3-hydroxynaphthalen-1-yl)-2-oxo-3-(1-prop-2-enoylazetidin-3-yl)-4H-quinazolin-1-yl]acetamide;1-[3-[7-(3-hydroxynaphthalen-1-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]azetidin-1-yl]prop-2-en-1-one;2-[7-(5-methyl-1H-indazol-4-yl)-2-oxo-3-(1-prop-2-enoylazetidin-3-yl)-4H-quinazolin-1-yl]acetamide;7-(5-methyl-1H-indazol-4-yl)-3-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydroquinazolin-2-one;1-[3-[7-(5-methyl-1H-indazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]azetidin-1-yl]prop-2-en-1-one?

2-[7-(3-hydroxynaphthalen-1-yl)-2-oxo-3-(1-prop-2-enoylazetidin-3-yl)-4H-quinazolin-1-yl]acetamide;1-[3-[7-(3-hydroxynaphthalen-1-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]azetidin-1-yl]prop-2-en-1-one;2-[7-(5-methyl-1H-indazol-4-yl)-2-oxo-3-(1-prop-2-enoylazetidin-3-yl)-4H-quinazolin-1-yl]acetamide;7-(5-methyl-1H-indazol-4-yl)-3-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydroquinazolin-2-one;1-[3-[7-(5-methyl-1H-indazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]azetidin-1-yl]prop-2-en-1-one has a molecular weight of 2073.44 g/mol, XLogP of 16.32, 19 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-(3-hydroxynaphthalen-1-yl)-2-oxo-3-(1-prop-2-enoylazetidin-3-yl)-4H-quinazolin-1-yl]acetamide;1-[3-[7-(3-hydroxynaphthalen-1-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]azetidin-1-yl]prop-2-en-1-one;2-[7-(5-methyl-1H-indazol-4-yl)-2-oxo-3-(1-prop-2-enoylazetidin-3-yl)-4H-quinazolin-1-yl]acetamide;7-(5-methyl-1H-indazol-4-yl)-3-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydroquinazolin-2-one;1-[3-[7-(5-methyl-1H-indazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]azetidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 158476858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).