ethyl 6-[4-(3-fluoroanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate

C24H18FN5O2 — CID 168873024

IUPACethyl 6-[4-(3-fluoroanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3ccc4ncnc(Nc5cccc(F)c5)c4c3)ccc2n1
InChIInChI=1S/C24H18FN5O2/c1-2-32-24(31)21-13-30-12-16(7-9-22(30)29-21)15-6-8-20-19(10-15)23(27-14-26-20)28-18-5-3-4-17(25)11-18/h3-14H,2H2,1H3,(H,26,27,28)
InChIKeyVRTFTXNIJRHTTN-UHFFFAOYSA-N
MW427.44 g/mol
LogP5.00
Rot. Bonds5

About ethyl 6-[4-(3-fluoroanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate

ethyl 6-[4-(3-fluoroanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 168873024) has the molecular formula C24H18FN5O2 and a molecular weight of 427.44 g/mol. Its IUPAC name is ethyl 6-[4-(3-fluoroanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[4-(3-fluoroanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID168873024
Molecular FormulaC24H18FN5O2
Molecular Weight427.44 g/mol
Exact Mass427.14
IUPAC Nameethyl 6-[4-(3-fluoroanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3ccc4ncnc(Nc5cccc(F)c5)c4c3)ccc2n1
InChIInChI=1S/C24H18FN5O2/c1-2-32-24(31)21-13-30-12-16(7-9-22(30)29-21)15-6-8-20-19(10-15)23(27-14-26-20)28-18-5-3-4-17(25)11-18/h3-14H,2H2,1H3,(H,26,27,28)
InChIKeyVRTFTXNIJRHTTN-UHFFFAOYSA-N
XLogP5.00
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.44
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 6-[4-(3-fluoroanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate with MolForge

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Related Compounds

ethyl 6-[4-(N-ethylanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate
CID 168873012
N,N-diethyl-2-[3-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]pyrrol-1-yl]acetamide
CID 143748772
methyl 3-[(6-fluoroquinazolin-4-yl)amino]benzoate
CID 110434578
methyl 2-[3-[(6-fluoroquinazolin-4-yl)amino]phenyl]acetate
CID 133443561
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(4-ethylphenyl)quinazolin-4-amine;ethane
CID 171539522
ethyl 3-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoate
CID 110430634
6-(3-fluorophenyl)-N-(2-methylpropyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42876493
1-[3-[(6-ethylquinazolin-4-yl)amino]phenyl]ethanone
CID 21002622
5-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]-N-hydroxyfuran-2-carboxamide
CID 143805213
6,7-diethoxy-N-[3-(3-methylphenyl)phenyl]quinazolin-4-amine
CID 11014847
ethyl 2-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxyacetate
CID 66755921
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[1-(cyclopropylmethyl)pyrrol-3-yl]quinazolin-4-amine
CID 141179829

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[4-(3-fluoroanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[4-(3-fluoroanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate (CID 168873024) is ethyl 6-[4-(3-fluoroanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[4-(3-fluoroanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[4-(3-fluoroanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2cc(-c3ccc4ncnc(Nc5cccc(F)c5)c4c3)ccc2n1.
What is the InChIKey of ethyl 6-[4-(3-fluoroanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is VRTFTXNIJRHTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O2/c1-2-32-24(31)21-13-30-12-16(7-9-22(30)29-21)15-6-8-20-19(10-15)23(27-14-26-20)28-18-5-3-4-17(25)11-18/h3-14H,2H2,1H3,(H,26,27,28).
What are the key properties of ethyl 6-[4-(3-fluoroanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate?
ethyl 6-[4-(3-fluoroanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 427.44 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[4-(3-fluoroanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 168873024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).