2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[[2-(1-fluorocyclopropyl)-4-[4-(4-iodo-2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;4-(4-iodo-2-methoxyphenyl)piperidine;hydrochloride

C52H63ClF2I2N8O5 — CID 159581928

About 2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[[2-(1-fluorocyclopropyl)-4-[4-(4-iodo-2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;4-(4-iodo-2-methoxyphenyl)piperidine;hydrochloride

2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[[2-(1-fluorocyclopropyl)-4-[4-(4-iodo-2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;4-(4-iodo-2-methoxyphenyl)piperidine;hydrochloride (PubChem CID 159581928) has the molecular formula C52H63ClF2I2N8O5 and a molecular weight of 1207.38 g/mol. Its IUPAC name is 2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[[2-(1-fluorocyclopropyl)-4-[4-(4-iodo-2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;4-(4-iodo-2-methoxyphenyl)piperidine;hydrochloride.

Molecular Properties

• Compound Name: 2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[[2-(1-fluorocyclopropyl)-4-[4-(4-iodo-2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;4-(4-iodo-2-methoxyphenyl)piperidine;hydrochloride
• PubChem CID: 159581928
• Molecular Formula: C52H63ClF2I2N8O5
• Molecular Weight: 1207.38 g/mol
• Exact Mass: 1206.27
• IUPAC Name: 2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[[2-(1-fluorocyclopropyl)-4-[4-(4-iodo-2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;4-(4-iodo-2-methoxyphenyl)piperidine;hydrochloride
• SMILES: CN(CCO)c1ccc2nc(C3(F)CC3)[nH]c(=O)c2c1.COc1cc(I)ccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)CCO)cc23)CC1.COc1cc(I)ccc1C1CCNCC1.Cl
• InChI: InChI=1S/C26H30FIN4O2.C14H16FN3O2.C12H16INO.ClH/c1-31(13-14-33)19-4-6-22-21(16-19)24(30-25(29-22)26(27)9-10-26)32-11-7-17(8-12-32)20-5-3-18(28)15-23(20)34-2;1-18(6-7-19)9-2-3-11-10(8-9)12(20)17-13(16-11)14(15)4-5-14;1-15-12-8-10(13)2-3-11(12)9-4-6-14-7-5-9;/h3-6,15-17,33H,7-14H2,1-2H3;2-3,8,19H,4-7H2,1H3,(H,16,17,20);2-3,8-9,14H,4-7H2,1H3;1H
• InChIKey: WVPVRLDOXMRJBT-UHFFFAOYSA-N
• XLogP: 9.51
• TPSA: 152.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1207.38
LogP ≤ 5	9.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[[2-(1-fluorocyclopropyl)-4-[4-(4-iodo-2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;4-(4-iodo-2-methoxyphenyl)piperidine;hydrochloride?

The IUPAC name of 2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[[2-(1-fluorocyclopropyl)-4-[4-(4-iodo-2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;4-(4-iodo-2-methoxyphenyl)piperidine;hydrochloride (CID 159581928) is 2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[[2-(1-fluorocyclopropyl)-4-[4-(4-iodo-2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;4-(4-iodo-2-methoxyphenyl)piperidine;hydrochloride.

What is the SMILES notation for 2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[[2-(1-fluorocyclopropyl)-4-[4-(4-iodo-2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;4-(4-iodo-2-methoxyphenyl)piperidine;hydrochloride?

The canonical SMILES for 2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[[2-(1-fluorocyclopropyl)-4-[4-(4-iodo-2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;4-(4-iodo-2-methoxyphenyl)piperidine;hydrochloride is CN(CCO)c1ccc2nc(C3(F)CC3)[nH]c(=O)c2c1.COc1cc(I)ccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)CCO)cc23)CC1.COc1cc(I)ccc1C1CCNCC1.Cl.

What is the InChIKey of 2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[[2-(1-fluorocyclopropyl)-4-[4-(4-iodo-2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;4-(4-iodo-2-methoxyphenyl)piperidine;hydrochloride?

The InChIKey is WVPVRLDOXMRJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FIN4O2.C14H16FN3O2.C12H16INO.ClH/c1-31(13-14-33)19-4-6-22-21(16-19)24(30-25(29-22)26(27)9-10-26)32-11-7-17(8-12-32)20-5-3-18(28)15-23(20)34-2;1-18(6-7-19)9-2-3-11-10(8-9)12(20)17-13(16-11)14(15)4-5-14;1-15-12-8-10(13)2-3-11(12)9-4-6-14-7-5-9;/h3-6,15-17,33H,7-14H2,1-2H3;2-3,8,19H,4-7H2,1H3,(H,16,17,20);2-3,8-9,14H,4-7H2,1H3;1H.

What are the key properties of 2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[[2-(1-fluorocyclopropyl)-4-[4-(4-iodo-2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;4-(4-iodo-2-methoxyphenyl)piperidine;hydrochloride?

2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[[2-(1-fluorocyclopropyl)-4-[4-(4-iodo-2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;4-(4-iodo-2-methoxyphenyl)piperidine;hydrochloride has a molecular weight of 1207.38 g/mol, XLogP of 9.51, 13 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[[2-(1-fluorocyclopropyl)-4-[4-(4-iodo-2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;4-(4-iodo-2-methoxyphenyl)piperidine;hydrochloride is sourced from PubChem (CID 159581928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).