7-fluoro-2-[[5-fluoro-2-(2-morpholin-4-yl-4-pyridinyl)phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine

C26H22F2N6O — CID 138689580

IUPAC7-fluoro-2-[[5-fluoro-2-(2-morpholin-4-yl-4-pyridinyl)phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine
SMILESNc1nc2c(F)cccc2c2nc(Cc3cc(F)ccc3-c3ccnc(N4CCOCC4)c3)cn12
InChIInChI=1S/C26H22F2N6O/c27-18-4-5-20(16-6-7-30-23(14-16)33-8-10-35-11-9-33)17(12-18)13-19-15-34-25(31-19)21-2-1-3-22(28)24(21)32-26(34)29/h1-7,12,14-15H,8-11,13H2,(H2,29,32)
InChIKeyFRTPQZOILRRLQO-UHFFFAOYSA-N
MW472.50 g/mol
LogP4.23
Rot. Bonds4

About 7-fluoro-2-[[5-fluoro-2-(2-morpholin-4-yl-4-pyridinyl)phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine

7-fluoro-2-[[5-fluoro-2-(2-morpholin-4-yl-4-pyridinyl)phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine (PubChem CID 138689580) has the molecular formula C26H22F2N6O and a molecular weight of 472.50 g/mol. Its IUPAC name is 7-fluoro-2-[[5-fluoro-2-(2-morpholin-4-yl-4-pyridinyl)phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine.

Molecular Properties

Compound Name7-fluoro-2-[[5-fluoro-2-(2-morpholin-4-yl-4-pyridinyl)phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine
PubChem CID138689580
Molecular FormulaC26H22F2N6O
Molecular Weight472.50 g/mol
Exact Mass472.18
IUPAC Name7-fluoro-2-[[5-fluoro-2-(2-morpholin-4-yl-4-pyridinyl)phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine
SMILESNc1nc2c(F)cccc2c2nc(Cc3cc(F)ccc3-c3ccnc(N4CCOCC4)c3)cn12
InChIInChI=1S/C26H22F2N6O/c27-18-4-5-20(16-6-7-30-23(14-16)33-8-10-35-11-9-33)17(12-18)13-19-15-34-25(31-19)21-2-1-3-22(28)24(21)32-26(34)29/h1-7,12,14-15H,8-11,13H2,(H2,29,32)
InChIKeyFRTPQZOILRRLQO-UHFFFAOYSA-N
XLogP4.23
TPSA81.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-[[5-fluoro-2-(2-morpholin-4-yl-4-pyridinyl)phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine?
The IUPAC name of 7-fluoro-2-[[5-fluoro-2-(2-morpholin-4-yl-4-pyridinyl)phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine (CID 138689580) is 7-fluoro-2-[[5-fluoro-2-(2-morpholin-4-yl-4-pyridinyl)phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine.
What is the SMILES notation for 7-fluoro-2-[[5-fluoro-2-(2-morpholin-4-yl-4-pyridinyl)phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine?
The canonical SMILES for 7-fluoro-2-[[5-fluoro-2-(2-morpholin-4-yl-4-pyridinyl)phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine is Nc1nc2c(F)cccc2c2nc(Cc3cc(F)ccc3-c3ccnc(N4CCOCC4)c3)cn12.
What is the InChIKey of 7-fluoro-2-[[5-fluoro-2-(2-morpholin-4-yl-4-pyridinyl)phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine?
The InChIKey is FRTPQZOILRRLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N6O/c27-18-4-5-20(16-6-7-30-23(14-16)33-8-10-35-11-9-33)17(12-18)13-19-15-34-25(31-19)21-2-1-3-22(28)24(21)32-26(34)29/h1-7,12,14-15H,8-11,13H2,(H2,29,32).
What are the key properties of 7-fluoro-2-[[5-fluoro-2-(2-morpholin-4-yl-4-pyridinyl)phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine?
7-fluoro-2-[[5-fluoro-2-(2-morpholin-4-yl-4-pyridinyl)phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine has a molecular weight of 472.50 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-[[5-fluoro-2-(2-morpholin-4-yl-4-pyridinyl)phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine is sourced from PubChem (CID 138689580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).