1-[8-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1,4-dihydroquinazolin-2-yl]-3-ethylurea;5-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-methylmethanamine;propane

C56H72N16O4 — CID 143191059

About 1-[8-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1,4-dihydroquinazolin-2-yl]-3-ethylurea;5-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-methylmethanamine;propane

1-[8-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1,4-dihydroquinazolin-2-yl]-3-ethylurea;5-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-methylmethanamine;propane (PubChem CID 143191059) has the molecular formula C56H72N16O4 and a molecular weight of 1033.30 g/mol. Its IUPAC name is 1-[8-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1,4-dihydroquinazolin-2-yl]-3-ethylurea;5-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-methylmethanamine;propane.

Molecular Properties

• Compound Name: 1-[8-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1,4-dihydroquinazolin-2-yl]-3-ethylurea;5-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-methylmethanamine;propane
• PubChem CID: 143191059
• Molecular Formula: C56H72N16O4
• Molecular Weight: 1033.30 g/mol
• Exact Mass: 1032.59
• IUPAC Name: 1-[8-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1,4-dihydroquinazolin-2-yl]-3-ethylurea;5-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-methylmethanamine;propane
• SMILES: CCC.CCNC(=O)NC1=NCc2cc(-c3cccnc3)cc(-c3cc(CN(C)C)ccn3)c2N1.CCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cncc(C(=O)NCCN4CCOCC4)c3)cc2[nH]1.CNC
• InChI: InChI=1S/C27H30N8O3.C24H27N7O.C3H8.C2H7N/c1-2-29-27(37)34-26-32-23-15-18(14-21(24(23)33-26)22-5-3-4-6-30-22)19-13-20(17-28-16-19)25(36)31-7-8-35-9-11-38-12-10-35;1-4-26-24(32)30-23-28-14-19-11-18(17-6-5-8-25-13-17)12-20(22(19)29-23)21-10-16(7-9-27-21)15-31(2)3;2*1-3-2/h3-6,13-17H,2,7-12H2,1H3,(H,31,36)(H3,29,32,33,34,37);5-13H,4,14-15H2,1-3H3,(H3,26,28,29,30,32);3H2,1-2H3;3H,1-2H3
• InChIKey: SQTHIJACEIASBS-UHFFFAOYSA-N
• XLogP: 7.61
• TPSA: 243.73 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1033.30
LogP ≤ 5	7.61
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1-[8-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1,4-dihydroquinazolin-2-yl]-3-ethylurea;5-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-methylmethanamine;propane?

The IUPAC name of 1-[8-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1,4-dihydroquinazolin-2-yl]-3-ethylurea;5-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-methylmethanamine;propane (CID 143191059) is 1-[8-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1,4-dihydroquinazolin-2-yl]-3-ethylurea;5-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-methylmethanamine;propane.

What is the SMILES notation for 1-[8-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1,4-dihydroquinazolin-2-yl]-3-ethylurea;5-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-methylmethanamine;propane?

The canonical SMILES for 1-[8-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1,4-dihydroquinazolin-2-yl]-3-ethylurea;5-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-methylmethanamine;propane is CCC.CCNC(=O)NC1=NCc2cc(-c3cccnc3)cc(-c3cc(CN(C)C)ccn3)c2N1.CCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cncc(C(=O)NCCN4CCOCC4)c3)cc2[nH]1.CNC.

What is the InChIKey of 1-[8-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1,4-dihydroquinazolin-2-yl]-3-ethylurea;5-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-methylmethanamine;propane?

The InChIKey is SQTHIJACEIASBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O3.C24H27N7O.C3H8.C2H7N/c1-2-29-27(37)34-26-32-23-15-18(14-21(24(23)33-26)22-5-3-4-6-30-22)19-13-20(17-28-16-19)25(36)31-7-8-35-9-11-38-12-10-35;1-4-26-24(32)30-23-28-14-19-11-18(17-6-5-8-25-13-17)12-20(22(19)29-23)21-10-16(7-9-27-21)15-31(2)3;2*1-3-2/h3-6,13-17H,2,7-12H2,1H3,(H,31,36)(H3,29,32,33,34,37);5-13H,4,14-15H2,1-3H3,(H3,26,28,29,30,32);3H2,1-2H3;3H,1-2H3.

What are the key properties of 1-[8-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1,4-dihydroquinazolin-2-yl]-3-ethylurea;5-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-methylmethanamine;propane?

1-[8-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1,4-dihydroquinazolin-2-yl]-3-ethylurea;5-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-methylmethanamine;propane has a molecular weight of 1033.30 g/mol, XLogP of 7.61, 13 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[8-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1,4-dihydroquinazolin-2-yl]-3-ethylurea;5-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-methylmethanamine;propane is sourced from PubChem (CID 143191059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).