N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-3-[[6-[6-[6-[[3-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl-methylcarbamoyl]phenyl]methylamino]hexylamino]hexylamino]hexylamino]methyl]-N-methylbenzamide

C70H108N14O6 — CID 10260816

IUPACN-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-3-[[6-[6-[6-[[3-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl-methylcarbamoyl]phenyl]methylamino]hexylamino]hexylamino]hexylamino]methyl]-N-methylbenzamide
SMILESCOc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CNCCCCCCNCCCCCCNCCCCCCNCc4cccc(C(=O)N(C)CCCCCCN(C)c5nc(N)c6cc(OC)c(OC)cc6n5)c4)c3)nc(N)c2cc1OC
InChIInChI=1S/C70H108N14O6/c1-81(41-25-15-17-27-43-83(3)69-77-59-49-63(89-7)61(87-5)47-57(59)65(71)79-69)67(85)55-33-29-31-53(45-55)51-75-39-23-13-11-21-37-73-35-19-9-10-20-36-74-38-22-12-14-24-40-76-52-54-32-30-34-56(46-54)68(86)82(2)42-26-16-18-28-44-84(4)70-78-60-50-64(90-8)62(88-6)48-58(60)66(72)80-70/h29-34,45-50,73-76H,9-28,35-44,51-52H2,1-8H3,(H2,71,77,79)(H2,72,78,80)
InChIKeyAMILSLWIAABALH-UHFFFAOYSA-N
MW1241.73 g/mol
LogP11.05
Rot. Bonds47

About N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-3-[[6-[6-[6-[[3-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl-methylcarbamoyl]phenyl]methylamino]hexylamino]hexylamino]hexylamino]methyl]-N-methylbenzamide

N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-3-[[6-[6-[6-[[3-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl-methylcarbamoyl]phenyl]methylamino]hexylamino]hexylamino]hexylamino]methyl]-N-methylbenzamide (PubChem CID 10260816) has the molecular formula C70H108N14O6 and a molecular weight of 1241.73 g/mol. Its IUPAC name is N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-3-[[6-[6-[6-[[3-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl-methylcarbamoyl]phenyl]methylamino]hexylamino]hexylamino]hexylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-3-[[6-[6-[6-[[3-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl-methylcarbamoyl]phenyl]methylamino]hexylamino]hexylamino]hexylamino]methyl]-N-methylbenzamide
PubChem CID10260816
Molecular FormulaC70H108N14O6
Molecular Weight1241.73 g/mol
Exact Mass1240.86
IUPAC NameN-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-3-[[6-[6-[6-[[3-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl-methylcarbamoyl]phenyl]methylamino]hexylamino]hexylamino]hexylamino]methyl]-N-methylbenzamide
SMILESCOc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CNCCCCCCNCCCCCCNCCCCCCNCc4cccc(C(=O)N(C)CCCCCCN(C)c5nc(N)c6cc(OC)c(OC)cc6n5)c4)c3)nc(N)c2cc1OC
InChIInChI=1S/C70H108N14O6/c1-81(41-25-15-17-27-43-83(3)69-77-59-49-63(89-7)61(87-5)47-57(59)65(71)79-69)67(85)55-33-29-31-53(45-55)51-75-39-23-13-11-21-37-73-35-19-9-10-20-36-74-38-22-12-14-24-40-76-52-54-32-30-34-56(46-54)68(86)82(2)42-26-16-18-28-44-84(4)70-78-60-50-64(90-8)62(88-6)48-58(60)66(72)80-70/h29-34,45-50,73-76H,9-28,35-44,51-52H2,1-8H3,(H2,71,77,79)(H2,72,78,80)
InChIKeyAMILSLWIAABALH-UHFFFAOYSA-N
XLogP11.05
TPSA235.74 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds47
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001241.73
LogP ≤ 511.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-3-[[6-[6-[6-[[3-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl-methylcarbamoyl]phenyl]methylamino]hexylamino]hexylamino]hexylamino]methyl]-N-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-3-[[6-[6-[6-[[3-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl-methylcarbamoyl]phenyl]methylamino]hexylamino]hexylamino]hexylamino]methyl]-N-methylbenzamide?
The IUPAC name of N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-3-[[6-[6-[6-[[3-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl-methylcarbamoyl]phenyl]methylamino]hexylamino]hexylamino]hexylamino]methyl]-N-methylbenzamide (CID 10260816) is N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-3-[[6-[6-[6-[[3-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl-methylcarbamoyl]phenyl]methylamino]hexylamino]hexylamino]hexylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-3-[[6-[6-[6-[[3-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl-methylcarbamoyl]phenyl]methylamino]hexylamino]hexylamino]hexylamino]methyl]-N-methylbenzamide?
The canonical SMILES for N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-3-[[6-[6-[6-[[3-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl-methylcarbamoyl]phenyl]methylamino]hexylamino]hexylamino]hexylamino]methyl]-N-methylbenzamide is COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CNCCCCCCNCCCCCCNCCCCCCNCc4cccc(C(=O)N(C)CCCCCCN(C)c5nc(N)c6cc(OC)c(OC)cc6n5)c4)c3)nc(N)c2cc1OC.
What is the InChIKey of N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-3-[[6-[6-[6-[[3-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl-methylcarbamoyl]phenyl]methylamino]hexylamino]hexylamino]hexylamino]methyl]-N-methylbenzamide?
The InChIKey is AMILSLWIAABALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H108N14O6/c1-81(41-25-15-17-27-43-83(3)69-77-59-49-63(89-7)61(87-5)47-57(59)65(71)79-69)67(85)55-33-29-31-53(45-55)51-75-39-23-13-11-21-37-73-35-19-9-10-20-36-74-38-22-12-14-24-40-76-52-54-32-30-34-56(46-54)68(86)82(2)42-26-16-18-28-44-84(4)70-78-60-50-64(90-8)62(88-6)48-58(60)66(72)80-70/h29-34,45-50,73-76H,9-28,35-44,51-52H2,1-8H3,(H2,71,77,79)(H2,72,78,80).
What are the key properties of N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-3-[[6-[6-[6-[[3-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl-methylcarbamoyl]phenyl]methylamino]hexylamino]hexylamino]hexylamino]methyl]-N-methylbenzamide?
N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-3-[[6-[6-[6-[[3-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl-methylcarbamoyl]phenyl]methylamino]hexylamino]hexylamino]hexylamino]methyl]-N-methylbenzamide has a molecular weight of 1241.73 g/mol, XLogP of 11.05, 47 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-3-[[6-[6-[6-[[3-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl-methylcarbamoyl]phenyl]methylamino]hexylamino]hexylamino]hexylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 10260816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).