1,2-bis(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-1-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]hydrazine

C61H81FN10O8 — CID 91440728

IUPAC1,2-bis(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-1-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]hydrazine
SMILESCCCOc1cc(CN2CCC(N(c3nc(N4CCCCC4)c4cc(OC)c(OC)cc4n3)N(c3nc(N4CCCCC4)c4cc(OC)c(OC)cc4n3)C3CCN(Cc4ccc(OC)c(OCCF)c4)CC3)CC2)ccc1OC
InChIInChI=1S/C61H81FN10O8/c1-8-32-79-56-34-42(15-17-50(56)73-2)40-67-28-19-44(20-29-67)71(60-63-48-38-54(77-6)52(75-4)36-46(48)58(65-60)69-24-11-9-12-25-69)72(45-21-30-68(31-22-45)41-43-16-18-51(74-3)57(35-43)80-33-23-62)61-64-49-39-55(78-7)53(76-5)37-47(49)59(66-61)70-26-13-10-14-27-70/h15-18,34-39,44-45H,8-14,19-33,40-41H2,1-7H3
InChIKeyKCAZZHCJCRTISG-UHFFFAOYSA-N
MW1101.38 g/mol
LogP10.30
Rot. Bonds23

About 1,2-bis(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-1-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]hydrazine

1,2-bis(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-1-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]hydrazine (PubChem CID 91440728) has the molecular formula C61H81FN10O8 and a molecular weight of 1101.38 g/mol. Its IUPAC name is 1,2-bis(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-1-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]hydrazine.

Molecular Properties

Compound Name1,2-bis(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-1-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]hydrazine
PubChem CID91440728
Molecular FormulaC61H81FN10O8
Molecular Weight1101.38 g/mol
Exact Mass1100.62
IUPAC Name1,2-bis(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-1-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]hydrazine
SMILESCCCOc1cc(CN2CCC(N(c3nc(N4CCCCC4)c4cc(OC)c(OC)cc4n3)N(c3nc(N4CCCCC4)c4cc(OC)c(OC)cc4n3)C3CCN(Cc4ccc(OC)c(OCCF)c4)CC3)CC2)ccc1OC
InChIInChI=1S/C61H81FN10O8/c1-8-32-79-56-34-42(15-17-50(56)73-2)40-67-28-19-44(20-29-67)71(60-63-48-38-54(77-6)52(75-4)36-46(48)58(65-60)69-24-11-9-12-25-69)72(45-21-30-68(31-22-45)41-43-16-18-51(74-3)57(35-43)80-33-23-62)61-64-49-39-55(78-7)53(76-5)37-47(49)59(66-61)70-26-13-10-14-27-70/h15-18,34-39,44-45H,8-14,19-33,40-41H2,1-7H3
InChIKeyKCAZZHCJCRTISG-UHFFFAOYSA-N
XLogP10.30
TPSA144.84 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds23
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001101.38
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 1,2-bis(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-1-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]hydrazine with MolForge

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Related Compounds

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2-Cyclohexyl-6-methoxy-N-(1-(1-methylethyl)-4-piperidinyl)-7-(3-(1-pyrrolidinyl)propoxy)-4-quinazolinamine
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1,4-Bis(4-amino-6,7-dimethoxy-2-quinazolinyl)piperazine
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N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 5329042
N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine
CID 5329049
6-methoxy-N-(3-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330170
6-methoxy-N-(4-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
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PDGF Receptor Tyrosine Kinase Inhibitor III
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N-cycloheptyl-6,7-dimethoxy-2-(4-piperidin-1-ylpiperidin-1-yl)quinazolin-4-amine
CID 25141190
6,7-Dimethoxy-N-(1-Methylpiperidin-4-Yl)-2-(Morpholin-4-Yl)quinazolin-4-Amine
CID 44605026
N~4~-(1-Benzylpiperidin-4-Yl)-N~2~-[3-(Dimethylamino)propyl]-6,7-Dimethoxyquinazoline-2,4-Diamine
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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-1-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]hydrazine?
The IUPAC name of 1,2-bis(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-1-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]hydrazine (CID 91440728) is 1,2-bis(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-1-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]hydrazine.
What is the SMILES notation for 1,2-bis(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-1-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]hydrazine?
The canonical SMILES for 1,2-bis(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-1-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]hydrazine is CCCOc1cc(CN2CCC(N(c3nc(N4CCCCC4)c4cc(OC)c(OC)cc4n3)N(c3nc(N4CCCCC4)c4cc(OC)c(OC)cc4n3)C3CCN(Cc4ccc(OC)c(OCCF)c4)CC3)CC2)ccc1OC.
What is the InChIKey of 1,2-bis(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-1-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]hydrazine?
The InChIKey is KCAZZHCJCRTISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H81FN10O8/c1-8-32-79-56-34-42(15-17-50(56)73-2)40-67-28-19-44(20-29-67)71(60-63-48-38-54(77-6)52(75-4)36-46(48)58(65-60)69-24-11-9-12-25-69)72(45-21-30-68(31-22-45)41-43-16-18-51(74-3)57(35-43)80-33-23-62)61-64-49-39-55(78-7)53(76-5)37-47(49)59(66-61)70-26-13-10-14-27-70/h15-18,34-39,44-45H,8-14,19-33,40-41H2,1-7H3.
What are the key properties of 1,2-bis(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-1-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]hydrazine?
1,2-bis(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-1-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]hydrazine has a molecular weight of 1101.38 g/mol, XLogP of 10.30, 23 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-1-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]hydrazine is sourced from PubChem (CID 91440728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).