ethyl 4-(2-pyridin-3-ylquinazolin-4-yl)piperazine-1-carboxylate

C20H21N5O2 — CID 4880874

IUPACethyl 4-(2-pyridin-3-ylquinazolin-4-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1
InChIInChI=1S/C20H21N5O2/c1-2-27-20(26)25-12-10-24(11-13-25)19-16-7-3-4-8-17(16)22-18(23-19)15-6-5-9-21-14-15/h3-9,14H,2,10-13H2,1H3
InChIKeyLVZJCGCVZDCZIY-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.97
Rot. Bonds3

About ethyl 4-(2-pyridin-3-ylquinazolin-4-yl)piperazine-1-carboxylate

ethyl 4-(2-pyridin-3-ylquinazolin-4-yl)piperazine-1-carboxylate (PubChem CID 4880874) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is ethyl 4-(2-pyridin-3-ylquinazolin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-pyridin-3-ylquinazolin-4-yl)piperazine-1-carboxylate
PubChem CID4880874
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Nameethyl 4-(2-pyridin-3-ylquinazolin-4-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1
InChIInChI=1S/C20H21N5O2/c1-2-27-20(26)25-12-10-24(11-13-25)19-16-7-3-4-8-17(16)22-18(23-19)15-6-5-9-21-14-15/h3-9,14H,2,10-13H2,1H3
InChIKeyLVZJCGCVZDCZIY-UHFFFAOYSA-N
XLogP2.97
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(2-pyridin-3-ylquinazolin-4-yl)piperazine-1-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

N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
N-benzyl-2-pyridin-4-ylquinazolin-4-amine
CID 921562
4-(4-Acetyl-1-piperazinyl)quinazoline
CID 594152
N-[4-(benzylamino)pyrido[4,3-d]pyrimidin-7-yl]acetamide
CID 5328248
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6g
CID 5328348
2-phenyl-N-(pyridin-4-yl)quinazolin-4-amine
CID 6456587
1-Phenyl-3-(2-(pyridin-3-yl)quinazolin-4-yl)urea
CID 10688595
1-Phenyl-3-(2-(pyridin-2-yl)quinazolin-4-yl)urea
CID 10712256
4-(4-Methylpiperazin-1-yl)quinazoline
CID 21029584
4-(1-Azepanyl)-2-(4-pyridinyl)quinazoline
CID 877991
1-[[2-(4-Methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]-3-quinolin-5-ylurea
CID 71237040

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-pyridin-3-ylquinazolin-4-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2-pyridin-3-ylquinazolin-4-yl)piperazine-1-carboxylate (CID 4880874) is ethyl 4-(2-pyridin-3-ylquinazolin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-pyridin-3-ylquinazolin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-pyridin-3-ylquinazolin-4-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1.
What is the InChIKey of ethyl 4-(2-pyridin-3-ylquinazolin-4-yl)piperazine-1-carboxylate?
The InChIKey is LVZJCGCVZDCZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-2-27-20(26)25-12-10-24(11-13-25)19-16-7-3-4-8-17(16)22-18(23-19)15-6-5-9-21-14-15/h3-9,14H,2,10-13H2,1H3.
What are the key properties of ethyl 4-(2-pyridin-3-ylquinazolin-4-yl)piperazine-1-carboxylate?
ethyl 4-(2-pyridin-3-ylquinazolin-4-yl)piperazine-1-carboxylate has a molecular weight of 363.42 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-pyridin-3-ylquinazolin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 4880874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).