7-fluoro-9-N-[7-fluoro-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]imidazo[1,2-c]quinazolin-5-yl]-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]imidazo[1,2-c]quinazoline-5,9-diamine

C48H50F2N10O — CID 138721241

IUPAC7-fluoro-9-N-[7-fluoro-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]imidazo[1,2-c]quinazolin-5-yl]-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]imidazo[1,2-c]quinazoline-5,9-diamine
SMILESCOc1ccc(CN2CCC(Cc3cn4c(Nc5cc(F)c6nc(N)n7cc(CC8CCN(CCc9ccccc9)CC8)nc7c6c5)nc5c(F)cccc5c4n3)CC2)cc1
InChIInChI=1S/C48H50F2N10O/c1-61-38-12-10-34(11-13-38)28-58-22-17-33(18-23-58)25-37-30-60-45(52-37)39-8-5-9-41(49)43(39)56-48(60)54-35-26-40-44(42(50)27-35)55-47(51)59-29-36(53-46(40)59)24-32-15-20-57(21-16-32)19-14-31-6-3-2-4-7-31/h2-13,26-27,29-30,32-33H,14-25,28H2,1H3,(H2,51,55)(H,54,56)
InChIKeyOYEYQGHWAUMYCL-UHFFFAOYSA-N
MW820.99 g/mol
LogP8.64
Rot. Bonds12

About 7-fluoro-9-N-[7-fluoro-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]imidazo[1,2-c]quinazolin-5-yl]-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]imidazo[1,2-c]quinazoline-5,9-diamine

7-fluoro-9-N-[7-fluoro-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]imidazo[1,2-c]quinazolin-5-yl]-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]imidazo[1,2-c]quinazoline-5,9-diamine (PubChem CID 138721241) has the molecular formula C48H50F2N10O and a molecular weight of 820.99 g/mol. Its IUPAC name is 7-fluoro-9-N-[7-fluoro-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]imidazo[1,2-c]quinazolin-5-yl]-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]imidazo[1,2-c]quinazoline-5,9-diamine.

Molecular Properties

Compound Name7-fluoro-9-N-[7-fluoro-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]imidazo[1,2-c]quinazolin-5-yl]-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]imidazo[1,2-c]quinazoline-5,9-diamine
PubChem CID138721241
Molecular FormulaC48H50F2N10O
Molecular Weight820.99 g/mol
Exact Mass820.41
IUPAC Name7-fluoro-9-N-[7-fluoro-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]imidazo[1,2-c]quinazolin-5-yl]-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]imidazo[1,2-c]quinazoline-5,9-diamine
SMILESCOc1ccc(CN2CCC(Cc3cn4c(Nc5cc(F)c6nc(N)n7cc(CC8CCN(CCc9ccccc9)CC8)nc7c6c5)nc5c(F)cccc5c4n3)CC2)cc1
InChIInChI=1S/C48H50F2N10O/c1-61-38-12-10-34(11-13-38)28-58-22-17-33(18-23-58)25-37-30-60-45(52-37)39-8-5-9-41(49)43(39)56-48(60)54-35-26-40-44(42(50)27-35)55-47(51)59-29-36(53-46(40)59)24-32-15-20-57(21-16-32)19-14-31-6-3-2-4-7-31/h2-13,26-27,29-30,32-33H,14-25,28H2,1H3,(H2,51,55)(H,54,56)
InChIKeyOYEYQGHWAUMYCL-UHFFFAOYSA-N
XLogP8.64
TPSA114.14 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500820.99
LogP ≤ 58.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 7-fluoro-9-N-[7-fluoro-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]imidazo[1,2-c]quinazolin-5-yl]-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]imidazo[1,2-c]quinazoline-5,9-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-9-N-[7-fluoro-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]imidazo[1,2-c]quinazolin-5-yl]-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]imidazo[1,2-c]quinazoline-5,9-diamine?
The IUPAC name of 7-fluoro-9-N-[7-fluoro-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]imidazo[1,2-c]quinazolin-5-yl]-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]imidazo[1,2-c]quinazoline-5,9-diamine (CID 138721241) is 7-fluoro-9-N-[7-fluoro-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]imidazo[1,2-c]quinazolin-5-yl]-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]imidazo[1,2-c]quinazoline-5,9-diamine.
What is the SMILES notation for 7-fluoro-9-N-[7-fluoro-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]imidazo[1,2-c]quinazolin-5-yl]-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]imidazo[1,2-c]quinazoline-5,9-diamine?
The canonical SMILES for 7-fluoro-9-N-[7-fluoro-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]imidazo[1,2-c]quinazolin-5-yl]-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]imidazo[1,2-c]quinazoline-5,9-diamine is COc1ccc(CN2CCC(Cc3cn4c(Nc5cc(F)c6nc(N)n7cc(CC8CCN(CCc9ccccc9)CC8)nc7c6c5)nc5c(F)cccc5c4n3)CC2)cc1.
What is the InChIKey of 7-fluoro-9-N-[7-fluoro-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]imidazo[1,2-c]quinazolin-5-yl]-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]imidazo[1,2-c]quinazoline-5,9-diamine?
The InChIKey is OYEYQGHWAUMYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H50F2N10O/c1-61-38-12-10-34(11-13-38)28-58-22-17-33(18-23-58)25-37-30-60-45(52-37)39-8-5-9-41(49)43(39)56-48(60)54-35-26-40-44(42(50)27-35)55-47(51)59-29-36(53-46(40)59)24-32-15-20-57(21-16-32)19-14-31-6-3-2-4-7-31/h2-13,26-27,29-30,32-33H,14-25,28H2,1H3,(H2,51,55)(H,54,56).
What are the key properties of 7-fluoro-9-N-[7-fluoro-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]imidazo[1,2-c]quinazolin-5-yl]-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]imidazo[1,2-c]quinazoline-5,9-diamine?
7-fluoro-9-N-[7-fluoro-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]imidazo[1,2-c]quinazolin-5-yl]-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]imidazo[1,2-c]quinazoline-5,9-diamine has a molecular weight of 820.99 g/mol, XLogP of 8.64, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-9-N-[7-fluoro-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]imidazo[1,2-c]quinazolin-5-yl]-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]imidazo[1,2-c]quinazoline-5,9-diamine is sourced from PubChem (CID 138721241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).