1-[2-chloro-4-[6-methoxy-7-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutoxy]quinazolin-4-yl]oxyphenyl]-4-methylpentan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(4-chloro-3-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-thiophen-3-ylpropan-2-one;methane

C101H117Cl4N9O14S — CID 160693201

About 1-[2-chloro-4-[6-methoxy-7-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutoxy]quinazolin-4-yl]oxyphenyl]-4-methylpentan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(4-chloro-3-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-thiophen-3-ylpropan-2-one;methane

1-[2-chloro-4-[6-methoxy-7-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutoxy]quinazolin-4-yl]oxyphenyl]-4-methylpentan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(4-chloro-3-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-thiophen-3-ylpropan-2-one;methane (PubChem CID 160693201) has the molecular formula C101H117Cl4N9O14S and a molecular weight of 1854.97 g/mol. Its IUPAC name is 1-[2-chloro-4-[6-methoxy-7-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutoxy]quinazolin-4-yl]oxyphenyl]-4-methylpentan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(4-chloro-3-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-thiophen-3-ylpropan-2-one;methane.

Molecular Properties

• Compound Name: 1-[2-chloro-4-[6-methoxy-7-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutoxy]quinazolin-4-yl]oxyphenyl]-4-methylpentan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(4-chloro-3-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-thiophen-3-ylpropan-2-one;methane
• PubChem CID: 160693201
• Molecular Formula: C101H117Cl4N9O14S
• Molecular Weight: 1854.97 g/mol
• Exact Mass: 1851.72
• IUPAC Name: 1-[2-chloro-4-[6-methoxy-7-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutoxy]quinazolin-4-yl]oxyphenyl]-4-methylpentan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(4-chloro-3-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-thiophen-3-ylpropan-2-one;methane
• SMILES: C.C.COc1cc2c(Oc3ccc(CC(=O)CC(C)C)c(Cl)c3)ncnc2cc1OCCCC(=O)N1CCC2(CC1)COC2.Cc1cc(CC(=O)Cc2ccc(Oc3ncnc4cc(OCCCN5CCC6(CC5)COC6)c(C)cc34)cc2Cl)ccc1Cl.Cc1cc2c(Oc3ccc(CC(=O)Cc4ccsc4)c(Cl)c3)ncnc2cc1OCCCN1CCC2(CC1)COC2
• InChI: InChI=1S/C35H37Cl2N3O4.C32H38ClN3O6.C32H34ClN3O4S.2CH4/c1-23-14-25(4-7-30(23)36)16-27(41)17-26-5-6-28(18-31(26)37)44-34-29-15-24(2)33(19-32(29)38-22-39-34)43-13-3-10-40-11-8-35(9-12-40)20-42-21-35;1-21(2)13-23(37)14-22-6-7-24(15-26(22)33)42-31-25-16-28(39-3)29(17-27(25)34-20-35-31)41-12-4-5-30(38)36-10-8-32(9-11-36)18-40-19-32;1-22-13-27-29(17-30(22)39-11-2-8-36-9-6-32(7-10-36)19-38-20-32)34-21-35-31(27)40-26-4-3-24(28(33)16-26)15-25(37)14-23-5-12-41-18-23;;/h4-7,14-15,18-19,22H,3,8-13,16-17,20-21H2,1-2H3;6-7,15-17,20-21H,4-5,8-14,18-19H2,1-3H3;3-5,12-13,16-18,21H,2,6-11,14-15,19-20H2,1H3;2*1H4
• InChIKey: RPRCQGOHYXIGBS-UHFFFAOYSA-N
• XLogP: 21.57
• TPSA: 247.64 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 34
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1854.97
LogP ≤ 5	21.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[6-methoxy-7-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutoxy]quinazolin-4-yl]oxyphenyl]-4-methylpentan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(4-chloro-3-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-thiophen-3-ylpropan-2-one;methane?

The IUPAC name of 1-[2-chloro-4-[6-methoxy-7-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutoxy]quinazolin-4-yl]oxyphenyl]-4-methylpentan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(4-chloro-3-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-thiophen-3-ylpropan-2-one;methane (CID 160693201) is 1-[2-chloro-4-[6-methoxy-7-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutoxy]quinazolin-4-yl]oxyphenyl]-4-methylpentan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(4-chloro-3-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-thiophen-3-ylpropan-2-one;methane.

What is the SMILES notation for 1-[2-chloro-4-[6-methoxy-7-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutoxy]quinazolin-4-yl]oxyphenyl]-4-methylpentan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(4-chloro-3-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-thiophen-3-ylpropan-2-one;methane?

The canonical SMILES for 1-[2-chloro-4-[6-methoxy-7-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutoxy]quinazolin-4-yl]oxyphenyl]-4-methylpentan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(4-chloro-3-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-thiophen-3-ylpropan-2-one;methane is C.C.COc1cc2c(Oc3ccc(CC(=O)CC(C)C)c(Cl)c3)ncnc2cc1OCCCC(=O)N1CCC2(CC1)COC2.Cc1cc(CC(=O)Cc2ccc(Oc3ncnc4cc(OCCCN5CCC6(CC5)COC6)c(C)cc34)cc2Cl)ccc1Cl.Cc1cc2c(Oc3ccc(CC(=O)Cc4ccsc4)c(Cl)c3)ncnc2cc1OCCCN1CCC2(CC1)COC2.

What is the InChIKey of 1-[2-chloro-4-[6-methoxy-7-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutoxy]quinazolin-4-yl]oxyphenyl]-4-methylpentan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(4-chloro-3-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-thiophen-3-ylpropan-2-one;methane?

The InChIKey is RPRCQGOHYXIGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37Cl2N3O4.C32H38ClN3O6.C32H34ClN3O4S.2CH4/c1-23-14-25(4-7-30(23)36)16-27(41)17-26-5-6-28(18-31(26)37)44-34-29-15-24(2)33(19-32(29)38-22-39-34)43-13-3-10-40-11-8-35(9-12-40)20-42-21-35;1-21(2)13-23(37)14-22-6-7-24(15-26(22)33)42-31-25-16-28(39-3)29(17-27(25)34-20-35-31)41-12-4-5-30(38)36-10-8-32(9-11-36)18-40-19-32;1-22-13-27-29(17-30(22)39-11-2-8-36-9-6-32(7-10-36)19-38-20-32)34-21-35-31(27)40-26-4-3-24(28(33)16-26)15-25(37)14-23-5-12-41-18-23;;/h4-7,14-15,18-19,22H,3,8-13,16-17,20-21H2,1-2H3;6-7,15-17,20-21H,4-5,8-14,18-19H2,1-3H3;3-5,12-13,16-18,21H,2,6-11,14-15,19-20H2,1H3;2*1H4.

What are the key properties of 1-[2-chloro-4-[6-methoxy-7-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutoxy]quinazolin-4-yl]oxyphenyl]-4-methylpentan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(4-chloro-3-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-thiophen-3-ylpropan-2-one;methane?

1-[2-chloro-4-[6-methoxy-7-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutoxy]quinazolin-4-yl]oxyphenyl]-4-methylpentan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(4-chloro-3-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-thiophen-3-ylpropan-2-one;methane has a molecular weight of 1854.97 g/mol, XLogP of 21.57, 34 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-chloro-4-[6-methoxy-7-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutoxy]quinazolin-4-yl]oxyphenyl]-4-methylpentan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(4-chloro-3-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-thiophen-3-ylpropan-2-one;methane is sourced from PubChem (CID 160693201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).