[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl] 4-[3-[[5-(2-aminopyrimidine-5-carbonyl)imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]propyl]piperazine-1-carboxylate

C36H43N9O7 — CID 162740612

About [2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl] 4-[3-[[5-(2-aminopyrimidine-5-carbonyl)imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]propyl]piperazine-1-carboxylate

[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl] 4-[3-[[5-(2-aminopyrimidine-5-carbonyl)imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]propyl]piperazine-1-carboxylate (PubChem CID 162740612) has the molecular formula C36H43N9O7 and a molecular weight of 713.80 g/mol. Its IUPAC name is [2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl] 4-[3-[[5-(2-aminopyrimidine-5-carbonyl)imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]propyl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: [2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl] 4-[3-[[5-(2-aminopyrimidine-5-carbonyl)imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]propyl]piperazine-1-carboxylate
• PubChem CID: 162740612
• Molecular Formula: C36H43N9O7
• Molecular Weight: 713.80 g/mol
• Exact Mass: 713.33
• IUPAC Name: [2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl] 4-[3-[[5-(2-aminopyrimidine-5-carbonyl)imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]propyl]piperazine-1-carboxylate
• SMILES: COc1c(OCCCN2CCN(C(=O)Oc3ccccc3CC(=O)OC(C)(C)C)CC2)ccc2c3n(/c(=N/C(=O)c4cnc(N)nc4)nc12)CCN3
• InChI: InChI=1S/C36H43N9O7/c1-36(2,3)52-28(46)20-23-8-5-6-9-26(23)51-35(48)44-17-15-43(16-18-44)13-7-19-50-27-11-10-25-29(30(27)49-4)41-34(45-14-12-38-31(25)45)42-32(47)24-21-39-33(37)40-22-24/h5-6,8-11,21-22,38H,7,12-20H2,1-4H3,(H2,37,39,40)/b42-34+
• InChIKey: BZFHPJSGLDTKIZ-GGGSGSEDSA-N
• XLogP: 3.05
• TPSA: 188.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	713.80
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl] 4-[3-[[5-(2-aminopyrimidine-5-carbonyl)imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]propyl]piperazine-1-carboxylate?

The IUPAC name of [2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl] 4-[3-[[5-(2-aminopyrimidine-5-carbonyl)imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]propyl]piperazine-1-carboxylate (CID 162740612) is [2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl] 4-[3-[[5-(2-aminopyrimidine-5-carbonyl)imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]propyl]piperazine-1-carboxylate.

What is the SMILES notation for [2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl] 4-[3-[[5-(2-aminopyrimidine-5-carbonyl)imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]propyl]piperazine-1-carboxylate?

The canonical SMILES for [2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl] 4-[3-[[5-(2-aminopyrimidine-5-carbonyl)imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]propyl]piperazine-1-carboxylate is COc1c(OCCCN2CCN(C(=O)Oc3ccccc3CC(=O)OC(C)(C)C)CC2)ccc2c3n(/c(=N/C(=O)c4cnc(N)nc4)nc12)CCN3.

What is the InChIKey of [2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl] 4-[3-[[5-(2-aminopyrimidine-5-carbonyl)imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]propyl]piperazine-1-carboxylate?

The InChIKey is BZFHPJSGLDTKIZ-GGGSGSEDSA-N. The full InChI is InChI=1S/C36H43N9O7/c1-36(2,3)52-28(46)20-23-8-5-6-9-26(23)51-35(48)44-17-15-43(16-18-44)13-7-19-50-27-11-10-25-29(30(27)49-4)41-34(45-14-12-38-31(25)45)42-32(47)24-21-39-33(37)40-22-24/h5-6,8-11,21-22,38H,7,12-20H2,1-4H3,(H2,37,39,40)/b42-34+.

What are the key properties of [2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl] 4-[3-[[5-(2-aminopyrimidine-5-carbonyl)imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]propyl]piperazine-1-carboxylate?

[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl] 4-[3-[[5-(2-aminopyrimidine-5-carbonyl)imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]propyl]piperazine-1-carboxylate has a molecular weight of 713.80 g/mol, XLogP of 3.05, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl] 4-[3-[[5-(2-aminopyrimidine-5-carbonyl)imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]propyl]piperazine-1-carboxylate is sourced from PubChem (CID 162740612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).