2-[[4-[[3-[1-[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperazin-1-yl]ethyl]phenyl]methyl]piperazin-1-yl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine

C39H42F2N12 — CID 138721026

IUPAC2-[[4-[[3-[1-[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperazin-1-yl]ethyl]phenyl]methyl]piperazin-1-yl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine
SMILESCC(c1cccc(CN2CCN(Cc3cn4c(N)nc5c(F)cccc5c4n3)CC2)c1)N1CCN(Cc2cn3c(N)nc4c(F)cccc4c3n2)CC1
InChIInChI=1S/C39H42F2N12/c1-25(51-17-15-50(16-18-51)22-29-24-53-37(45-29)31-8-4-10-33(41)35(31)47-39(53)43)27-6-2-5-26(19-27)20-48-11-13-49(14-12-48)21-28-23-52-36(44-28)30-7-3-9-32(40)34(30)46-38(52)42/h2-10,19,23-25H,11-18,20-22H2,1H3,(H2,42,46)(H2,43,47)
InChIKeyLEFXUPSLFDVQDK-UHFFFAOYSA-N
MW716.85 g/mol
LogP4.72
Rot. Bonds8

About 2-[[4-[[3-[1-[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperazin-1-yl]ethyl]phenyl]methyl]piperazin-1-yl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine

2-[[4-[[3-[1-[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperazin-1-yl]ethyl]phenyl]methyl]piperazin-1-yl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine (PubChem CID 138721026) has the molecular formula C39H42F2N12 and a molecular weight of 716.85 g/mol. Its IUPAC name is 2-[[4-[[3-[1-[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperazin-1-yl]ethyl]phenyl]methyl]piperazin-1-yl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine.

Molecular Properties

Compound Name2-[[4-[[3-[1-[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperazin-1-yl]ethyl]phenyl]methyl]piperazin-1-yl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine
PubChem CID138721026
Molecular FormulaC39H42F2N12
Molecular Weight716.85 g/mol
Exact Mass716.36
IUPAC Name2-[[4-[[3-[1-[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperazin-1-yl]ethyl]phenyl]methyl]piperazin-1-yl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine
SMILESCC(c1cccc(CN2CCN(Cc3cn4c(N)nc5c(F)cccc5c4n3)CC2)c1)N1CCN(Cc2cn3c(N)nc4c(F)cccc4c3n2)CC1
InChIInChI=1S/C39H42F2N12/c1-25(51-17-15-50(16-18-51)22-29-24-53-37(45-29)31-8-4-10-33(41)35(31)47-39(53)43)27-6-2-5-26(19-27)20-48-11-13-49(14-12-48)21-28-23-52-36(44-28)30-7-3-9-32(40)34(30)46-38(52)42/h2-10,19,23-25H,11-18,20-22H2,1H3,(H2,42,46)(H2,43,47)
InChIKeyLEFXUPSLFDVQDK-UHFFFAOYSA-N
XLogP4.72
TPSA125.38 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.85
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 2-[[4-[[3-[1-[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperazin-1-yl]ethyl]phenyl]methyl]piperazin-1-yl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[3-[1-[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperazin-1-yl]ethyl]phenyl]methyl]piperazin-1-yl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine?
The IUPAC name of 2-[[4-[[3-[1-[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperazin-1-yl]ethyl]phenyl]methyl]piperazin-1-yl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine (CID 138721026) is 2-[[4-[[3-[1-[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperazin-1-yl]ethyl]phenyl]methyl]piperazin-1-yl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine.
What is the SMILES notation for 2-[[4-[[3-[1-[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperazin-1-yl]ethyl]phenyl]methyl]piperazin-1-yl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine?
The canonical SMILES for 2-[[4-[[3-[1-[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperazin-1-yl]ethyl]phenyl]methyl]piperazin-1-yl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine is CC(c1cccc(CN2CCN(Cc3cn4c(N)nc5c(F)cccc5c4n3)CC2)c1)N1CCN(Cc2cn3c(N)nc4c(F)cccc4c3n2)CC1.
What is the InChIKey of 2-[[4-[[3-[1-[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperazin-1-yl]ethyl]phenyl]methyl]piperazin-1-yl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine?
The InChIKey is LEFXUPSLFDVQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42F2N12/c1-25(51-17-15-50(16-18-51)22-29-24-53-37(45-29)31-8-4-10-33(41)35(31)47-39(53)43)27-6-2-5-26(19-27)20-48-11-13-49(14-12-48)21-28-23-52-36(44-28)30-7-3-9-32(40)34(30)46-38(52)42/h2-10,19,23-25H,11-18,20-22H2,1H3,(H2,42,46)(H2,43,47).
What are the key properties of 2-[[4-[[3-[1-[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperazin-1-yl]ethyl]phenyl]methyl]piperazin-1-yl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine?
2-[[4-[[3-[1-[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperazin-1-yl]ethyl]phenyl]methyl]piperazin-1-yl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine has a molecular weight of 716.85 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[3-[1-[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperazin-1-yl]ethyl]phenyl]methyl]piperazin-1-yl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine is sourced from PubChem (CID 138721026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).