1-[3-[4-[[2-[3-(dimethylamino)azetidin-1-yl]-2-oxoethyl]amino]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)quinazoline-4-carbonitrile;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)quinazoline-4-carboxamide

C99H89N23O7 — CID 159480000

About 1-[3-[4-[[2-[3-(dimethylamino)azetidin-1-yl]-2-oxoethyl]amino]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)quinazoline-4-carbonitrile;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)quinazoline-4-carboxamide

1-[3-[4-[[2-[3-(dimethylamino)azetidin-1-yl]-2-oxoethyl]amino]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)quinazoline-4-carbonitrile;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)quinazoline-4-carboxamide (PubChem CID 159480000) has the molecular formula C99H89N23O7 and a molecular weight of 1712.95 g/mol. Its IUPAC name is 1-[3-[4-[[2-[3-(dimethylamino)azetidin-1-yl]-2-oxoethyl]amino]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)quinazoline-4-carbonitrile;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)quinazoline-4-carboxamide.

Molecular Properties

• Compound Name: 1-[3-[4-[[2-[3-(dimethylamino)azetidin-1-yl]-2-oxoethyl]amino]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)quinazoline-4-carbonitrile;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)quinazoline-4-carboxamide
• PubChem CID: 159480000
• Molecular Formula: C99H89N23O7
• Molecular Weight: 1712.95 g/mol
• Exact Mass: 1711.73
• IUPAC Name: 1-[3-[4-[[2-[3-(dimethylamino)azetidin-1-yl]-2-oxoethyl]amino]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)quinazoline-4-carbonitrile;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)quinazoline-4-carboxamide
• SMILES: C=CC(=O)N1CC(c2nc(C#N)c3cc(-c4c(C)ccc5[nH]ncc45)ccc3n2)C1.C=CC(=O)N1CC(c2nc(C(N)=O)c3cc(-c4c(C)ccc5[nH]ncc45)ccc3n2)C1.C=CC(=O)N1CC(c2nc(NCC(=O)N3CC(N(C)C)C3)c3cc(-c4c(C)ccc5[nH]ncc45)ccc3n2)C1.C=CC(=O)N1CC(c2ncc3cc(-c4cc(O)cc5ccccc45)ccc3n2)C1
• InChI: InChI=1S/C29H32N8O2.C24H19N3O2.C23H20N6O2.C23H18N6O/c1-5-25(38)36-13-19(14-36)28-32-23-9-7-18(27-17(2)6-8-24-22(27)11-31-34-24)10-21(23)29(33-28)30-12-26(39)37-15-20(16-37)35(3)4;1-2-23(29)27-13-18(14-27)24-25-12-17-9-16(7-8-22(17)26-24)21-11-19(28)10-15-5-3-4-6-20(15)21;1-3-19(30)29-10-14(11-29)23-26-17-7-5-13(8-15(17)21(27-23)22(24)31)20-12(2)4-6-18-16(20)9-25-28-18;1-3-21(30)29-11-15(12-29)23-26-18-7-5-14(8-16(18)20(9-24)27-23)22-13(2)4-6-19-17(22)10-25-28-19/h5-11,19-20H,1,12-16H2,2-4H3,(H,31,34)(H,30,32,33);2-12,18,28H,1,13-14H2;3-9,14H,1,10-11H2,2H3,(H2,24,31)(H,25,28);3-8,10,15H,1,11-12H2,2H3,(H,25,28)
• InChIKey: LWWPMVSYFRHDFI-UHFFFAOYSA-N
• XLogP: 13.20
• TPSA: 393.09 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1712.95
LogP ≤ 5	13.20
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[[2-[3-(dimethylamino)azetidin-1-yl]-2-oxoethyl]amino]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)quinazoline-4-carbonitrile;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)quinazoline-4-carboxamide?

The IUPAC name of 1-[3-[4-[[2-[3-(dimethylamino)azetidin-1-yl]-2-oxoethyl]amino]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)quinazoline-4-carbonitrile;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)quinazoline-4-carboxamide (CID 159480000) is 1-[3-[4-[[2-[3-(dimethylamino)azetidin-1-yl]-2-oxoethyl]amino]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)quinazoline-4-carbonitrile;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)quinazoline-4-carboxamide.

What is the SMILES notation for 1-[3-[4-[[2-[3-(dimethylamino)azetidin-1-yl]-2-oxoethyl]amino]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)quinazoline-4-carbonitrile;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)quinazoline-4-carboxamide?

The canonical SMILES for 1-[3-[4-[[2-[3-(dimethylamino)azetidin-1-yl]-2-oxoethyl]amino]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)quinazoline-4-carbonitrile;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)quinazoline-4-carboxamide is C=CC(=O)N1CC(c2nc(C#N)c3cc(-c4c(C)ccc5[nH]ncc45)ccc3n2)C1.C=CC(=O)N1CC(c2nc(C(N)=O)c3cc(-c4c(C)ccc5[nH]ncc45)ccc3n2)C1.C=CC(=O)N1CC(c2nc(NCC(=O)N3CC(N(C)C)C3)c3cc(-c4c(C)ccc5[nH]ncc45)ccc3n2)C1.C=CC(=O)N1CC(c2ncc3cc(-c4cc(O)cc5ccccc45)ccc3n2)C1.

What is the InChIKey of 1-[3-[4-[[2-[3-(dimethylamino)azetidin-1-yl]-2-oxoethyl]amino]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)quinazoline-4-carbonitrile;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)quinazoline-4-carboxamide?

The InChIKey is LWWPMVSYFRHDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N8O2.C24H19N3O2.C23H20N6O2.C23H18N6O/c1-5-25(38)36-13-19(14-36)28-32-23-9-7-18(27-17(2)6-8-24-22(27)11-31-34-24)10-21(23)29(33-28)30-12-26(39)37-15-20(16-37)35(3)4;1-2-23(29)27-13-18(14-27)24-25-12-17-9-16(7-8-22(17)26-24)21-11-19(28)10-15-5-3-4-6-20(15)21;1-3-19(30)29-10-14(11-29)23-26-17-7-5-13(8-15(17)21(27-23)22(24)31)20-12(2)4-6-18-16(20)9-25-28-18;1-3-21(30)29-11-15(12-29)23-26-18-7-5-14(8-16(18)20(9-24)27-23)22-13(2)4-6-19-17(22)10-25-28-19/h5-11,19-20H,1,12-16H2,2-4H3,(H,31,34)(H,30,32,33);2-12,18,28H,1,13-14H2;3-9,14H,1,10-11H2,2H3,(H2,24,31)(H,25,28);3-8,10,15H,1,11-12H2,2H3,(H,25,28).

What are the key properties of 1-[3-[4-[[2-[3-(dimethylamino)azetidin-1-yl]-2-oxoethyl]amino]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)quinazoline-4-carbonitrile;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)quinazoline-4-carboxamide?

1-[3-[4-[[2-[3-(dimethylamino)azetidin-1-yl]-2-oxoethyl]amino]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)quinazoline-4-carbonitrile;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)quinazoline-4-carboxamide has a molecular weight of 1712.95 g/mol, XLogP of 13.20, 17 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-[[2-[3-(dimethylamino)azetidin-1-yl]-2-oxoethyl]amino]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)quinazoline-4-carbonitrile;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)quinazoline-4-carboxamide is sourced from PubChem (CID 159480000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).