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

C45H38FN9O2 — CID 138721114

IUPAC2-[[4-[3-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-4-phenylphenyl]-3-morpholin-4-ylphenyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1cc(Cc3ccc(-c4ccc(-c5ccccc5)c(Cc5cn6c(N)nc7c(F)cccc7c6n5)c4)c(N4CCOCC4)c3)nc21
InChIInChI=1S/C45H38FN9O2/c1-56-39-12-6-10-36-41(39)52-45(48)54-25-31(49-43(36)54)21-27-13-15-34(38(22-27)53-17-19-57-20-18-53)29-14-16-33(28-7-3-2-4-8-28)30(23-29)24-32-26-55-42(50-32)35-9-5-11-37(46)40(35)51-44(55)47/h2-16,22-23,25-26H,17-21,24H2,1H3,(H2,47,51)(H2,48,52)
InChIKeyIHPRCSOAYPTEMS-UHFFFAOYSA-N
MW755.86 g/mol
LogP7.74
Rot. Bonds8

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

2-[[4-[3-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-4-phenylphenyl]-3-morpholin-4-ylphenyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine (PubChem CID 138721114) has the molecular formula C45H38FN9O2 and a molecular weight of 755.86 g/mol. Its IUPAC name is 2-[[4-[3-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-4-phenylphenyl]-3-morpholin-4-ylphenyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine.

Molecular Properties

Compound Name2-[[4-[3-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-4-phenylphenyl]-3-morpholin-4-ylphenyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine
PubChem CID138721114
Molecular FormulaC45H38FN9O2
Molecular Weight755.86 g/mol
Exact Mass755.31
IUPAC Name2-[[4-[3-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-4-phenylphenyl]-3-morpholin-4-ylphenyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1cc(Cc3ccc(-c4ccc(-c5ccccc5)c(Cc5cn6c(N)nc7c(F)cccc7c6n5)c4)c(N4CCOCC4)c3)nc21
InChIInChI=1S/C45H38FN9O2/c1-56-39-12-6-10-36-41(39)52-45(48)54-25-31(49-43(36)54)21-27-13-15-34(38(22-27)53-17-19-57-20-18-53)29-14-16-33(28-7-3-2-4-8-28)30(23-29)24-32-26-55-42(50-32)35-9-5-11-37(46)40(35)51-44(55)47/h2-16,22-23,25-26H,17-21,24H2,1H3,(H2,47,51)(H2,48,52)
InChIKeyIHPRCSOAYPTEMS-UHFFFAOYSA-N
XLogP7.74
TPSA134.12 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500755.86
LogP ≤ 57.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-[[4-[3-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-4-phenylphenyl]-3-morpholin-4-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-[[4-[3-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-4-phenylphenyl]-3-morpholin-4-ylphenyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine?
The IUPAC name of 2-[[4-[3-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-4-phenylphenyl]-3-morpholin-4-ylphenyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine (CID 138721114) is 2-[[4-[3-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-4-phenylphenyl]-3-morpholin-4-ylphenyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine.
What is the SMILES notation for 2-[[4-[3-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-4-phenylphenyl]-3-morpholin-4-ylphenyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine?
The canonical SMILES for 2-[[4-[3-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-4-phenylphenyl]-3-morpholin-4-ylphenyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine is COc1cccc2c1nc(N)n1cc(Cc3ccc(-c4ccc(-c5ccccc5)c(Cc5cn6c(N)nc7c(F)cccc7c6n5)c4)c(N4CCOCC4)c3)nc21.
What is the InChIKey of 2-[[4-[3-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-4-phenylphenyl]-3-morpholin-4-ylphenyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine?
The InChIKey is IHPRCSOAYPTEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H38FN9O2/c1-56-39-12-6-10-36-41(39)52-45(48)54-25-31(49-43(36)54)21-27-13-15-34(38(22-27)53-17-19-57-20-18-53)29-14-16-33(28-7-3-2-4-8-28)30(23-29)24-32-26-55-42(50-32)35-9-5-11-37(46)40(35)51-44(55)47/h2-16,22-23,25-26H,17-21,24H2,1H3,(H2,47,51)(H2,48,52).
What are the key properties of 2-[[4-[3-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-4-phenylphenyl]-3-morpholin-4-ylphenyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine?
2-[[4-[3-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-4-phenylphenyl]-3-morpholin-4-ylphenyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine has a molecular weight of 755.86 g/mol, XLogP of 7.74, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-4-phenylphenyl]-3-morpholin-4-ylphenyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine is sourced from PubChem (CID 138721114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).