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

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Related Compounds

phenyl-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methanone
CID 2480686
(2R)-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]propan-1-ol
CID 95762506
ethyl 4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazine-1-carboxylate
CID 70671638
ethyl 4-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 91965227
3-methoxy-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidine-3-carboxylic acid
CID 167777227
4-(2-pyridin-3-ylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 133287442
ethyl 4-(7-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 46797966
[3-(methoxymethyl)-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-yl]methanol
CID 166235551
N-cyclopentyl-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]propanamide
CID 133287736
3-methyl-5-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 51283276
4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridin-3-ylquinazoline
CID 133327764
2-(2-chlorophenyl)-4-(4-ethoxycarbonylpiperazin-1-yl)quinazoline-7-carboxylic acid
CID 25130746

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).