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

C26H23N5O2 — CID 168873012

IUPACethyl 6-[4-(N-ethylanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3ccc4ncnc(N(CC)c5ccccc5)c4c3)ccc2n1
InChIInChI=1S/C26H23N5O2/c1-3-31(20-8-6-5-7-9-20)25-21-14-18(10-12-22(21)27-17-28-25)19-11-13-24-29-23(16-30(24)15-19)26(32)33-4-2/h5-17H,3-4H2,1-2H3
InChIKeyONBGBDGNUWVAEC-UHFFFAOYSA-N
MW437.50 g/mol
LogP5.28
Rot. Bonds6

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

ethyl 6-[4-(N-ethylanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 168873012) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is ethyl 6-[4-(N-ethylanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[4-(N-ethylanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID168873012
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC Nameethyl 6-[4-(N-ethylanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3ccc4ncnc(N(CC)c5ccccc5)c4c3)ccc2n1
InChIInChI=1S/C26H23N5O2/c1-3-31(20-8-6-5-7-9-20)25-21-14-18(10-12-22(21)27-17-28-25)19-11-13-24-29-23(16-30(24)15-19)26(32)33-4-2/h5-17H,3-4H2,1-2H3
InChIKeyONBGBDGNUWVAEC-UHFFFAOYSA-N
XLogP5.28
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 6-[4-(3-fluoroanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate
CID 168873024
[3-[[4-(N-ethylanilino)quinazolin-6-yl]amino]-3-oxopropyl]carbamic acid
CID 69463489
ethyl 6-[bis(methylsulfonyl)amino]imidazo[1,2-a]pyridine-2-carboxylate
CID 131732205
ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
CID 17389574
ethyl 6-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 42878543
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 33417738
ethyl 6-(3-methyl-1,2-dihydrotriazol-5-yl)imidazo[1,2-a]pyridine-2-carboxylate
CID 138663394
ethyl 2-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate
CID 90023168
(2-ethoxycarbonylimidazo[1,2-a]pyridin-7-yl)boronic acid
CID 167350393
N-[4-(N-ethylanilino)quinazolin-6-yl]-3-[(2-methylsulfonylacetyl)amino]propanamide
CID 69462798
ethyl 6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]imidazo[1,2-a]pyridine-2-carboxylate
CID 23158266
6-(2-acetylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one
CID 162352958

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[4-(N-ethylanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[4-(N-ethylanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate (CID 168873012) is ethyl 6-[4-(N-ethylanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[4-(N-ethylanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[4-(N-ethylanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2cc(-c3ccc4ncnc(N(CC)c5ccccc5)c4c3)ccc2n1.
What is the InChIKey of ethyl 6-[4-(N-ethylanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is ONBGBDGNUWVAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c1-3-31(20-8-6-5-7-9-20)25-21-14-18(10-12-22(21)27-17-28-25)19-11-13-24-29-23(16-30(24)15-19)26(32)33-4-2/h5-17H,3-4H2,1-2H3.
What are the key properties of ethyl 6-[4-(N-ethylanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate?
ethyl 6-[4-(N-ethylanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 437.50 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[4-(N-ethylanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 168873012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).