2-(1-fluorocyclopropyl)-N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine

C57H71F2N9O4 — CID 144986103

About 2-(1-fluorocyclopropyl)-N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine

2-(1-fluorocyclopropyl)-N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine (PubChem CID 144986103) has the molecular formula C57H71F2N9O4 and a molecular weight of 984.25 g/mol. Its IUPAC name is 2-(1-fluorocyclopropyl)-N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine.

Molecular Properties

• Compound Name: 2-(1-fluorocyclopropyl)-N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine
• PubChem CID: 144986103
• Molecular Formula: C57H71F2N9O4
• Molecular Weight: 984.25 g/mol
• Exact Mass: 983.56
• IUPAC Name: 2-(1-fluorocyclopropyl)-N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine
• SMILES: COCCN(C)c1ccc2nc(C3(F)CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1
• InChI: InChI=1S/C30H38FN5O2.C27H33FN4O2/c1-34(15-16-35-17-19-38-20-18-35)23-7-8-26-25(21-23)28(33-29(32-26)30(31)11-12-30)36-13-9-22(10-14-36)24-5-3-4-6-27(24)37-2;1-31(16-17-33-2)20-8-9-23-22(18-20)25(30-26(29-23)27(28)12-13-27)32-14-10-19(11-15-32)21-6-4-5-7-24(21)34-3/h3-8,21-22H,9-20H2,1-2H3;4-9,18-19H,10-17H2,1-3H3
• InChIKey: CEEMMTWTVLGJSY-UHFFFAOYSA-N
• XLogP: 9.81
• TPSA: 104.68 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	984.25
LogP ≤ 5	9.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorocyclopropyl)-N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine?

The IUPAC name of 2-(1-fluorocyclopropyl)-N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine (CID 144986103) is 2-(1-fluorocyclopropyl)-N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine.

What is the SMILES notation for 2-(1-fluorocyclopropyl)-N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine?

The canonical SMILES for 2-(1-fluorocyclopropyl)-N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine is COCCN(C)c1ccc2nc(C3(F)CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1.

What is the InChIKey of 2-(1-fluorocyclopropyl)-N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine?

The InChIKey is CEEMMTWTVLGJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38FN5O2.C27H33FN4O2/c1-34(15-16-35-17-19-38-20-18-35)23-7-8-26-25(21-23)28(33-29(32-26)30(31)11-12-30)36-13-9-22(10-14-36)24-5-3-4-6-27(24)37-2;1-31(16-17-33-2)20-8-9-23-22(18-20)25(30-26(29-23)27(28)12-13-27)32-14-10-19(11-15-32)21-6-4-5-7-24(21)34-3/h3-8,21-22H,9-20H2,1-2H3;4-9,18-19H,10-17H2,1-3H3.

What are the key properties of 2-(1-fluorocyclopropyl)-N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine?

2-(1-fluorocyclopropyl)-N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine has a molecular weight of 984.25 g/mol, XLogP of 9.81, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-fluorocyclopropyl)-N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine is sourced from PubChem (CID 144986103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).