4-[[4-[[[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)amino]-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)amino]piperidin-1-yl]methyl]-2,6-diethoxyaniline

C64H84N12O10 — CID 90892277

IUPAC4-[[4-[[[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)amino]-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)amino]piperidin-1-yl]methyl]-2,6-diethoxyaniline
SMILESCCOc1cc(CN2CCC(N(c3nc(N4CCOCC4)c4cc(OC)c(OC)cc4n3)N(c3nc(N4CCOCC4)c4cc(OC)c(OC)cc4n3)C3CCN(Cc4cc(OCC)c(-n5cccc5)c(OCC)c4)CC3)CC2)cc(OCC)c1N
InChIInChI=1S/C64H84N12O10/c1-9-83-55-33-43(34-56(59(55)65)84-10-2)41-70-21-15-45(16-22-70)75(63-66-49-39-53(79-7)51(77-5)37-47(49)61(68-63)73-25-29-81-30-26-73)76(64-67-50-40-54(80-8)52(78-6)38-48(50)62(69-64)74-27-31-82-32-28-74)46-17-23-71(24-18-46)42-44-35-57(85-11-3)60(58(36-44)86-12-4)72-19-13-14-20-72/h13-14,19-20,33-40,45-46H,9-12,15-18,21-32,41-42,65H2,1-8H3
InChIKeyMUDZZUWSFOVKJW-UHFFFAOYSA-N
MW1181.45 g/mol
LogP8.81
Rot. Bonds24

About 4-[[4-[[[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)amino]-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)amino]piperidin-1-yl]methyl]-2,6-diethoxyaniline

4-[[4-[[[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)amino]-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)amino]piperidin-1-yl]methyl]-2,6-diethoxyaniline (PubChem CID 90892277) has the molecular formula C64H84N12O10 and a molecular weight of 1181.45 g/mol. Its IUPAC name is 4-[[4-[[[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)amino]-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)amino]piperidin-1-yl]methyl]-2,6-diethoxyaniline.

Molecular Properties

Compound Name4-[[4-[[[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)amino]-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)amino]piperidin-1-yl]methyl]-2,6-diethoxyaniline
PubChem CID90892277
Molecular FormulaC64H84N12O10
Molecular Weight1181.45 g/mol
Exact Mass1180.64
IUPAC Name4-[[4-[[[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)amino]-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)amino]piperidin-1-yl]methyl]-2,6-diethoxyaniline
SMILESCCOc1cc(CN2CCC(N(c3nc(N4CCOCC4)c4cc(OC)c(OC)cc4n3)N(c3nc(N4CCOCC4)c4cc(OC)c(OC)cc4n3)C3CCN(Cc4cc(OCC)c(-n5cccc5)c(OCC)c4)CC3)CC2)cc(OCC)c1N
InChIInChI=1S/C64H84N12O10/c1-9-83-55-33-43(34-56(59(55)65)84-10-2)41-70-21-15-45(16-22-70)75(63-66-49-39-53(79-7)51(77-5)37-47(49)61(68-63)73-25-29-81-30-26-73)76(64-67-50-40-54(80-8)52(78-6)38-48(50)62(69-64)74-27-31-82-32-28-74)46-17-23-71(24-18-46)42-44-35-57(85-11-3)60(58(36-44)86-12-4)72-19-13-14-20-72/h13-14,19-20,33-40,45-46H,9-12,15-18,21-32,41-42,65H2,1-8H3
InChIKeyMUDZZUWSFOVKJW-UHFFFAOYSA-N
XLogP8.81
TPSA194.25 Ų
H-Bond Donors1
H-Bond Acceptors22
Rotatable Bonds24
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001181.45
LogP ≤ 58.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[[4-[[[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)amino]-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)amino]piperidin-1-yl]methyl]-2,6-diethoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Amino-6,7-dimethoxy-2-[4-(2-morpholinopyrimidin-4-yl)piperazino]quinazoline
CID 13869556
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330193
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-(oxan-4-yloxy)-7-[2-(pyrrolidin-1-yl)ethoxy]quinazolin-4-amine dihydrochloride
CID 11974115
4-[(3R)-3-(3-ethoxyphenoxy)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline
CID 16102625
6,7-dimethoxy-4-[(3R)-3-(quinolin-6-yloxy)pyrrolidin-1-yl]quinazoline
CID 16102629
6,7-dimethoxy-4-[(3R)-3-(quinolin-7-yloxy)pyrrolidin-1-yl]quinazoline
CID 16102630
6,7-bis(3-morpholin-4-ylpropoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine
CID 141515867
4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-(4-pyridin-2-ylphenyl)piperazine-1-carbothioamide
CID 9894619
N-cyano-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N'-(4-pyridin-2-ylphenyl)piperazine-1-carboximidamide
CID 44394875
4-[3-[4-(1-Benzyl-5-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine
CID 164613171
4-[3-[4-(1-Benzyl-6-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine
CID 164616525
6,7-bis(2-morpholin-4-ylethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine
CID 141515860

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)amino]-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)amino]piperidin-1-yl]methyl]-2,6-diethoxyaniline?
The IUPAC name of 4-[[4-[[[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)amino]-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)amino]piperidin-1-yl]methyl]-2,6-diethoxyaniline (CID 90892277) is 4-[[4-[[[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)amino]-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)amino]piperidin-1-yl]methyl]-2,6-diethoxyaniline.
What is the SMILES notation for 4-[[4-[[[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)amino]-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)amino]piperidin-1-yl]methyl]-2,6-diethoxyaniline?
The canonical SMILES for 4-[[4-[[[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)amino]-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)amino]piperidin-1-yl]methyl]-2,6-diethoxyaniline is CCOc1cc(CN2CCC(N(c3nc(N4CCOCC4)c4cc(OC)c(OC)cc4n3)N(c3nc(N4CCOCC4)c4cc(OC)c(OC)cc4n3)C3CCN(Cc4cc(OCC)c(-n5cccc5)c(OCC)c4)CC3)CC2)cc(OCC)c1N.
What is the InChIKey of 4-[[4-[[[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)amino]-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)amino]piperidin-1-yl]methyl]-2,6-diethoxyaniline?
The InChIKey is MUDZZUWSFOVKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H84N12O10/c1-9-83-55-33-43(34-56(59(55)65)84-10-2)41-70-21-15-45(16-22-70)75(63-66-49-39-53(79-7)51(77-5)37-47(49)61(68-63)73-25-29-81-30-26-73)76(64-67-50-40-54(80-8)52(78-6)38-48(50)62(69-64)74-27-31-82-32-28-74)46-17-23-71(24-18-46)42-44-35-57(85-11-3)60(58(36-44)86-12-4)72-19-13-14-20-72/h13-14,19-20,33-40,45-46H,9-12,15-18,21-32,41-42,65H2,1-8H3.
What are the key properties of 4-[[4-[[[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)amino]-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)amino]piperidin-1-yl]methyl]-2,6-diethoxyaniline?
4-[[4-[[[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)amino]-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)amino]piperidin-1-yl]methyl]-2,6-diethoxyaniline has a molecular weight of 1181.45 g/mol, XLogP of 8.81, 24 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)amino]-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)amino]piperidin-1-yl]methyl]-2,6-diethoxyaniline is sourced from PubChem (CID 90892277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).