2-chloro-4-(cyclohexen-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;2-chloro-4-cyclohexyl-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;cyclohexen-1-ylboronic acid;4-cyclohexyl-6-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;2,4-dichloro-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;methanamine

C₉₀H₁₂₇BCl₄N₁₄O₁₀ — CID 158841668

About 2-chloro-4-(cyclohexen-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;2-chloro-4-cyclohexyl-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;cyclohexen-1-ylboronic acid;4-cyclohexyl-6-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;2,4-dichloro-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;methanamine

2-chloro-4-(cyclohexen-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;2-chloro-4-cyclohexyl-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;cyclohexen-1-ylboronic acid;4-cyclohexyl-6-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;2,4-dichloro-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;methanamine (PubChem CID 158841668) has the molecular formula C₉₀H₁₂₇BCl₄N₁₄O₁₀ and a molecular weight of 1717.72 g/mol. Its IUPAC name is 2-chloro-4-(cyclohexen-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;2-chloro-4-cyclohexyl-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;cyclohexen-1-ylboronic acid;4-cyclohexyl-6-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;2,4-dichloro-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;methanamine.

Molecular Properties

• Compound Name: 2-chloro-4-(cyclohexen-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;2-chloro-4-cyclohexyl-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;cyclohexen-1-ylboronic acid;4-cyclohexyl-6-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;2,4-dichloro-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;methanamine
• PubChem CID: 158841668
• Molecular Formula: C₉₀H₁₂₇BCl₄N₁₄O₁₀
• Molecular Weight: 1717.72 g/mol
• Exact Mass: 1714.87
• IUPAC Name: 2-chloro-4-(cyclohexen-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;2-chloro-4-cyclohexyl-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;cyclohexen-1-ylboronic acid;4-cyclohexyl-6-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;2,4-dichloro-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;methanamine
• SMILES: CN.CNc1nc(C2CCCCC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1.COc1cc2c(C3=CCCCC3)nc(Cl)nc2cc1OCCCN1CCCC1.COc1cc2c(C3CCCCC3)nc(Cl)nc2cc1OCCCN1CCCC1.COc1cc2c(Cl)nc(Cl)nc2cc1OCCCN1CCCC1.OB(O)C1=CCCCC1
• InChI: InChI=1S/C23H34N4O2.C22H30ClN3O2.C22H28ClN3O2.C16H19Cl2N3O2.C6H11BO2.CH5N/c1-24-23-25-19-16-21(29-14-8-13-27-11-6-7-12-27)20(28-2)15-18(19)22(26-23)17-9-4-3-5-10-17;2*1-27-19-14-17-18(15-20(19)28-13-7-12-26-10-5-6-11-26)24-22(23)25-21(17)16-8-3-2-4-9-16;1-22-13-9-11-12(19-16(18)20-15(11)17)10-14(13)23-8-4-7-21-5-2-3-6-21;8-7(9)6-4-2-1-3-5-6;1-2/h15-17H,3-14H2,1-2H3,(H,24,25,26);14-16H,2-13H2,1H3;8,14-15H,2-7,9-13H2,1H3;9-10H,2-8H2,1H3;4,8-9H,1-3,5H2;2H2,1H3
• InChIKey: IYHZOGHQBQIRKG-UHFFFAOYSA-N
• XLogP: 18.79
• TPSA: 268.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 29
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1717.72
LogP ≤ 5	18.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(cyclohexen-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;2-chloro-4-cyclohexyl-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;cyclohexen-1-ylboronic acid;4-cyclohexyl-6-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;2,4-dichloro-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;methanamine?

The IUPAC name of 2-chloro-4-(cyclohexen-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;2-chloro-4-cyclohexyl-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;cyclohexen-1-ylboronic acid;4-cyclohexyl-6-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;2,4-dichloro-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;methanamine (CID 158841668) is 2-chloro-4-(cyclohexen-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;2-chloro-4-cyclohexyl-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;cyclohexen-1-ylboronic acid;4-cyclohexyl-6-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;2,4-dichloro-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;methanamine.

What is the SMILES notation for 2-chloro-4-(cyclohexen-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;2-chloro-4-cyclohexyl-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;cyclohexen-1-ylboronic acid;4-cyclohexyl-6-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;2,4-dichloro-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;methanamine?

The canonical SMILES for 2-chloro-4-(cyclohexen-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;2-chloro-4-cyclohexyl-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;cyclohexen-1-ylboronic acid;4-cyclohexyl-6-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;2,4-dichloro-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;methanamine is CN.CNc1nc(C2CCCCC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1.COc1cc2c(C3=CCCCC3)nc(Cl)nc2cc1OCCCN1CCCC1.COc1cc2c(C3CCCCC3)nc(Cl)nc2cc1OCCCN1CCCC1.COc1cc2c(Cl)nc(Cl)nc2cc1OCCCN1CCCC1.OB(O)C1=CCCCC1.

What is the InChIKey of 2-chloro-4-(cyclohexen-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;2-chloro-4-cyclohexyl-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;cyclohexen-1-ylboronic acid;4-cyclohexyl-6-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;2,4-dichloro-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;methanamine?

The InChIKey is IYHZOGHQBQIRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2.C22H30ClN3O2.C22H28ClN3O2.C16H19Cl2N3O2.C6H11BO2.CH5N/c1-24-23-25-19-16-21(29-14-8-13-27-11-6-7-12-27)20(28-2)15-18(19)22(26-23)17-9-4-3-5-10-17;2*1-27-19-14-17-18(15-20(19)28-13-7-12-26-10-5-6-11-26)24-22(23)25-21(17)16-8-3-2-4-9-16;1-22-13-9-11-12(19-16(18)20-15(11)17)10-14(13)23-8-4-7-21-5-2-3-6-21;8-7(9)6-4-2-1-3-5-6;1-2/h15-17H,3-14H2,1-2H3,(H,24,25,26);14-16H,2-13H2,1H3;8,14-15H,2-7,9-13H2,1H3;9-10H,2-8H2,1H3;4,8-9H,1-3,5H2;2H2,1H3.

What are the key properties of 2-chloro-4-(cyclohexen-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;2-chloro-4-cyclohexyl-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;cyclohexen-1-ylboronic acid;4-cyclohexyl-6-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;2,4-dichloro-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;methanamine?

2-chloro-4-(cyclohexen-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;2-chloro-4-cyclohexyl-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;cyclohexen-1-ylboronic acid;4-cyclohexyl-6-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;2,4-dichloro-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;methanamine has a molecular weight of 1717.72 g/mol, XLogP of 18.79, 29 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-(cyclohexen-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;2-chloro-4-cyclohexyl-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;cyclohexen-1-ylboronic acid;4-cyclohexyl-6-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;2,4-dichloro-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;methanamine is sourced from PubChem (CID 158841668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158841668 — identifiers, structure, computed properties (public domain)

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