ethyl 4-(7-tert-butyl-2-chloroquinazolin-4-yl)piperazine-1-carboxylate

C19H25ClN4O2 — CID 86633459

IUPACethyl 4-(7-tert-butyl-2-chloroquinazolin-4-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(Cl)nc3cc(C(C)(C)C)ccc23)CC1
InChIInChI=1S/C19H25ClN4O2/c1-5-26-18(25)24-10-8-23(9-11-24)16-14-7-6-13(19(2,3)4)12-15(14)21-17(20)22-16/h6-7,12H,5,8-11H2,1-4H3
InChIKeyZZUPLCDRDRCAIC-UHFFFAOYSA-N
MW376.89 g/mol
LogP3.86
Rot. Bonds2

About ethyl 4-(7-tert-butyl-2-chloroquinazolin-4-yl)piperazine-1-carboxylate

ethyl 4-(7-tert-butyl-2-chloroquinazolin-4-yl)piperazine-1-carboxylate (PubChem CID 86633459) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is ethyl 4-(7-tert-butyl-2-chloroquinazolin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(7-tert-butyl-2-chloroquinazolin-4-yl)piperazine-1-carboxylate
PubChem CID86633459
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Nameethyl 4-(7-tert-butyl-2-chloroquinazolin-4-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(Cl)nc3cc(C(C)(C)C)ccc23)CC1
InChIInChI=1S/C19H25ClN4O2/c1-5-26-18(25)24-10-8-23(9-11-24)16-14-7-6-13(19(2,3)4)12-15(14)21-17(20)22-16/h6-7,12H,5,8-11H2,1-4H3
InChIKeyZZUPLCDRDRCAIC-UHFFFAOYSA-N
XLogP3.86
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-4-(4-ethoxycarbonylpiperazin-1-yl)quinazoline-7-carboxylic acid
CID 25130746
ethyl 4-[2-(2-chlorophenyl)-7-(1-methoxyethenyl)quinazolin-4-yl]piperazine-1-carboxylate
CID 89219457
ethyl 4-(2-chloro-6-methylpyrimidin-4-yl)piperazine-1-carboxylate
CID 107877548
tert-butyl 4-(3-chloro-6,7-dimethylquinoxalin-2-yl)piperazine-1-carboxylate
CID 166485451
ethyl 4-[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]piperazine-1-carboxylate
CID 25036116
ethyl 4-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 91965227
ethyl 4-[7-chloro-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]piperazine-1-carboxylate
CID 10572385
ethyl 4-[6-(trifluoromethyl)cyclohepta[d]imidazol-2-yl]piperazine-1-carboxylate
CID 54568628
tert-butyl 4-(6-chloro-3-ethoxycarbonyl-2-pyridinyl)piperazine-1-carboxylate
CID 58229542
N-[[1-(2-chloro-7-methylquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylbutanamide
CID 143198453
ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480
ethyl 4-(2-pyridin-3-ylquinazolin-4-yl)piperazine-1-carboxylate
CID 4880874

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(7-tert-butyl-2-chloroquinazolin-4-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(7-tert-butyl-2-chloroquinazolin-4-yl)piperazine-1-carboxylate (CID 86633459) is ethyl 4-(7-tert-butyl-2-chloroquinazolin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(7-tert-butyl-2-chloroquinazolin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(7-tert-butyl-2-chloroquinazolin-4-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nc(Cl)nc3cc(C(C)(C)C)ccc23)CC1.
What is the InChIKey of ethyl 4-(7-tert-butyl-2-chloroquinazolin-4-yl)piperazine-1-carboxylate?
The InChIKey is ZZUPLCDRDRCAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2/c1-5-26-18(25)24-10-8-23(9-11-24)16-14-7-6-13(19(2,3)4)12-15(14)21-17(20)22-16/h6-7,12H,5,8-11H2,1-4H3.
What are the key properties of ethyl 4-(7-tert-butyl-2-chloroquinazolin-4-yl)piperazine-1-carboxylate?
ethyl 4-(7-tert-butyl-2-chloroquinazolin-4-yl)piperazine-1-carboxylate has a molecular weight of 376.89 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(7-tert-butyl-2-chloroquinazolin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 86633459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).