2-[[5-[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-3-(morpholin-4-ylmethyl)phenyl]-2-piperidin-1-ylphenyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine

C45H45FN10O2 — CID 138721131

IUPAC2-[[5-[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-3-(morpholin-4-ylmethyl)phenyl]-2-piperidin-1-ylphenyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1cc(Cc3cc(-c4ccc(Cc5cn6c(N)nc7c(F)cccc7c6n5)c(CN5CCOCC5)c4)ccc3N3CCCCC3)nc21
InChIInChI=1S/C45H45FN10O2/c1-57-39-10-6-8-36-41(39)52-45(48)56-27-34(50-43(36)56)24-31-21-29(13-14-38(31)54-15-3-2-4-16-54)28-11-12-30(32(22-28)25-53-17-19-58-20-18-53)23-33-26-55-42(49-33)35-7-5-9-37(46)40(35)51-44(55)47/h5-14,21-22,26-27H,2-4,15-20,23-25H2,1H3,(H2,47,51)(H2,48,52)
InChIKeyXGKBPLHIHMMZLC-UHFFFAOYSA-N
MW776.92 g/mol
LogP7.06
Rot. Bonds9

About 2-[[5-[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-3-(morpholin-4-ylmethyl)phenyl]-2-piperidin-1-ylphenyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine

2-[[5-[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-3-(morpholin-4-ylmethyl)phenyl]-2-piperidin-1-ylphenyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine (PubChem CID 138721131) has the molecular formula C45H45FN10O2 and a molecular weight of 776.92 g/mol. Its IUPAC name is 2-[[5-[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-3-(morpholin-4-ylmethyl)phenyl]-2-piperidin-1-ylphenyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine.

Molecular Properties

Compound Name2-[[5-[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-3-(morpholin-4-ylmethyl)phenyl]-2-piperidin-1-ylphenyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine
PubChem CID138721131
Molecular FormulaC45H45FN10O2
Molecular Weight776.92 g/mol
Exact Mass776.37
IUPAC Name2-[[5-[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-3-(morpholin-4-ylmethyl)phenyl]-2-piperidin-1-ylphenyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1cc(Cc3cc(-c4ccc(Cc5cn6c(N)nc7c(F)cccc7c6n5)c(CN5CCOCC5)c4)ccc3N3CCCCC3)nc21
InChIInChI=1S/C45H45FN10O2/c1-57-39-10-6-8-36-41(39)52-45(48)56-27-34(50-43(36)56)24-31-21-29(13-14-38(31)54-15-3-2-4-16-54)28-11-12-30(32(22-28)25-53-17-19-58-20-18-53)23-33-26-55-42(49-33)35-7-5-9-37(46)40(35)51-44(55)47/h5-14,21-22,26-27H,2-4,15-20,23-25H2,1H3,(H2,47,51)(H2,48,52)
InChIKeyXGKBPLHIHMMZLC-UHFFFAOYSA-N
XLogP7.06
TPSA137.36 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500776.92
LogP ≤ 57.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 2-[[5-[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-3-(morpholin-4-ylmethyl)phenyl]-2-piperidin-1-ylphenyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-3-(morpholin-4-ylmethyl)phenyl]-2-piperidin-1-ylphenyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine?
The IUPAC name of 2-[[5-[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-3-(morpholin-4-ylmethyl)phenyl]-2-piperidin-1-ylphenyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine (CID 138721131) is 2-[[5-[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-3-(morpholin-4-ylmethyl)phenyl]-2-piperidin-1-ylphenyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine.
What is the SMILES notation for 2-[[5-[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-3-(morpholin-4-ylmethyl)phenyl]-2-piperidin-1-ylphenyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine?
The canonical SMILES for 2-[[5-[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-3-(morpholin-4-ylmethyl)phenyl]-2-piperidin-1-ylphenyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine is COc1cccc2c1nc(N)n1cc(Cc3cc(-c4ccc(Cc5cn6c(N)nc7c(F)cccc7c6n5)c(CN5CCOCC5)c4)ccc3N3CCCCC3)nc21.
What is the InChIKey of 2-[[5-[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-3-(morpholin-4-ylmethyl)phenyl]-2-piperidin-1-ylphenyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine?
The InChIKey is XGKBPLHIHMMZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H45FN10O2/c1-57-39-10-6-8-36-41(39)52-45(48)56-27-34(50-43(36)56)24-31-21-29(13-14-38(31)54-15-3-2-4-16-54)28-11-12-30(32(22-28)25-53-17-19-58-20-18-53)23-33-26-55-42(49-33)35-7-5-9-37(46)40(35)51-44(55)47/h5-14,21-22,26-27H,2-4,15-20,23-25H2,1H3,(H2,47,51)(H2,48,52).
What are the key properties of 2-[[5-[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-3-(morpholin-4-ylmethyl)phenyl]-2-piperidin-1-ylphenyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine?
2-[[5-[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-3-(morpholin-4-ylmethyl)phenyl]-2-piperidin-1-ylphenyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine has a molecular weight of 776.92 g/mol, XLogP of 7.06, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-3-(morpholin-4-ylmethyl)phenyl]-2-piperidin-1-ylphenyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine is sourced from PubChem (CID 138721131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).