1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one

C122H140Cl4N8O26 — CID 157295238

About 1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one

1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one (PubChem CID 157295238) has the molecular formula C122H140Cl4N8O26 and a molecular weight of 2276.30 g/mol. Its IUPAC name is 1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one.

Molecular Properties

• Compound Name: 1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one
• PubChem CID: 157295238
• Molecular Formula: C122H140Cl4N8O26
• Molecular Weight: 2276.30 g/mol
• Exact Mass: 2272.86
• IUPAC Name: 1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one
• SMILES: COc1cc2c(Oc3ccc(CC(=O)CCC4COC4)c(Cl)c3)ccnc2cc1OCCCN1CCC2(CC1)COC2.COc1cc2c(Oc3ccc(CC(=O)CCC4COC4)c(Cl)c3)ccnc2cc1OCCCOC1COC1.COc1cc2c(Oc3ccc(CC(=O)CCC4COC4)c(Cl)c3)ncnc2cc1OCCCN1CCC2(CC1)COC2.COc1cc2c(Oc3ccc(CC(=O)CCC4COC4)c(Cl)c3)ncnc2cc1OCCCOC1COC1
• InChI: InChI=1S/C33H39ClN2O6.C32H38ClN3O6.C29H32ClNO7.C28H31ClN2O7/c1-38-31-17-27-29(18-32(31)41-14-2-11-36-12-8-33(9-13-36)21-40-22-33)35-10-7-30(27)42-26-6-4-24(28(34)16-26)15-25(37)5-3-23-19-39-20-23;1-38-29-15-26-28(16-30(29)41-12-2-9-36-10-7-32(8-11-36)19-40-20-32)34-21-35-31(26)42-25-6-4-23(27(33)14-25)13-24(37)5-3-22-17-39-18-22;1-33-28-13-24-26(14-29(28)37-10-2-9-36-23-17-35-18-23)31-8-7-27(24)38-22-6-4-20(25(30)12-22)11-21(32)5-3-19-15-34-16-19;1-33-26-11-23-25(12-27(26)37-8-2-7-36-22-15-35-16-22)30-17-31-28(23)38-21-6-4-19(24(29)10-21)9-20(32)5-3-18-13-34-14-18/h4,6-7,10,16-18,23H,2-3,5,8-9,11-15,19-22H2,1H3;4,6,14-16,21-22H,2-3,5,7-13,17-20H2,1H3;4,6-8,12-14,19,23H,2-3,5,9-11,15-18H2,1H3;4,6,10-12,17-18,22H,2-3,5,7-9,13-16H2,1H3
• InChIKey: BBGQTICJDRCPPD-UHFFFAOYSA-N
• XLogP: 21.83
• TPSA: 355.16 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 54
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2276.30
LogP ≤ 5	21.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

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-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one?

The IUPAC name of 1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one (CID 157295238) is 1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one.

What is the SMILES notation for 1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one?

The canonical SMILES for 1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one is COc1cc2c(Oc3ccc(CC(=O)CCC4COC4)c(Cl)c3)ccnc2cc1OCCCN1CCC2(CC1)COC2.COc1cc2c(Oc3ccc(CC(=O)CCC4COC4)c(Cl)c3)ccnc2cc1OCCCOC1COC1.COc1cc2c(Oc3ccc(CC(=O)CCC4COC4)c(Cl)c3)ncnc2cc1OCCCN1CCC2(CC1)COC2.COc1cc2c(Oc3ccc(CC(=O)CCC4COC4)c(Cl)c3)ncnc2cc1OCCCOC1COC1.

What is the InChIKey of 1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one?

The InChIKey is BBGQTICJDRCPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39ClN2O6.C32H38ClN3O6.C29H32ClNO7.C28H31ClN2O7/c1-38-31-17-27-29(18-32(31)41-14-2-11-36-12-8-33(9-13-36)21-40-22-33)35-10-7-30(27)42-26-6-4-24(28(34)16-26)15-25(37)5-3-23-19-39-20-23;1-38-29-15-26-28(16-30(29)41-12-2-9-36-10-7-32(8-11-36)19-40-20-32)34-21-35-31(26)42-25-6-4-23(27(33)14-25)13-24(37)5-3-22-17-39-18-22;1-33-28-13-24-26(14-29(28)37-10-2-9-36-23-17-35-18-23)31-8-7-27(24)38-22-6-4-20(25(30)12-22)11-21(32)5-3-19-15-34-16-19;1-33-26-11-23-25(12-27(26)37-8-2-7-36-22-15-35-16-22)30-17-31-28(23)38-21-6-4-19(24(29)10-21)9-20(32)5-3-18-13-34-14-18/h4,6-7,10,16-18,23H,2-3,5,8-9,11-15,19-22H2,1H3;4,6,14-16,21-22H,2-3,5,7-13,17-20H2,1H3;4,6-8,12-14,19,23H,2-3,5,9-11,15-18H2,1H3;4,6,10-12,17-18,22H,2-3,5,7-9,13-16H2,1H3.

What are the key properties of 1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one?

1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one has a molecular weight of 2276.30 g/mol, XLogP of 21.83, 54 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-4-(oxetan-3-yl)butan-2-one is sourced from PubChem (CID 157295238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).