tert-butyl 4-(7,8-dihydroquinazolin-4-yl)piperazine-1-carboxylate

C17H24N4O2 — CID 142987069

IUPACtert-butyl 4-(7,8-dihydroquinazolin-4-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ncnc3c2C=CCC3)CC1
InChIInChI=1S/C17H24N4O2/c1-17(2,3)23-16(22)21-10-8-20(9-11-21)15-13-6-4-5-7-14(13)18-12-19-15/h4,6,12H,5,7-11H2,1-3H3
InChIKeyOMIXCEPSWVIWPI-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.49
Rot. Bonds1

About tert-butyl 4-(7,8-dihydroquinazolin-4-yl)piperazine-1-carboxylate

tert-butyl 4-(7,8-dihydroquinazolin-4-yl)piperazine-1-carboxylate (PubChem CID 142987069) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is tert-butyl 4-(7,8-dihydroquinazolin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(7,8-dihydroquinazolin-4-yl)piperazine-1-carboxylate
PubChem CID142987069
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Nametert-butyl 4-(7,8-dihydroquinazolin-4-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ncnc3c2C=CCC3)CC1
InChIInChI=1S/C17H24N4O2/c1-17(2,3)23-16(22)21-10-8-20(9-11-21)15-13-6-4-5-7-14(13)18-12-19-15/h4,6,12H,5,7-11H2,1-3H3
InChIKeyOMIXCEPSWVIWPI-UHFFFAOYSA-N
XLogP2.49
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Pyrrolidinecarboxylic acid, 3-[[5,6,7,8-tetrahydro-6-(phenylmethyl)pyrido[4,3-d]pyrimidin-4-yl]amino]-, 1,1-dimethylethyl ester, (3S)-
CID 57495323
Ethyl 4-[6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 46995069
Tert-butyl 4-[6-(2,4-difluorophenyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 68574722
Tert-butyl 4-[6-(2-fluorophenyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 68574741
Tert-butyl 4-[6-(2,3-difluorophenyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 68574910
Tert-butyl 4-[6-(3-fluorophenyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 68575397
Tert-butyl 4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 68575508
Tert-butyl 4-[4-(2,4-difluorophenyl)piperazin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 130430976
Tert-butyl 4-[7-(trifluoromethylsulfonyloxy)-5,6-dihydroquinazolin-4-yl]piperazine-1-carboxylate
CID 139388580
Tert-butyl 4-[[[6-[(2,5-difluorophenyl)methylamino]pyrimidin-4-yl]methylamino]methyl]piperidine-1-carboxylate
CID 142780544
tert-butyl N-[4-[4-(dimethylamino)-6-ethyl-2-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]pyrimidin-5-yl]butyl]-N-methylcarbamate
CID 145481694
tert-butyl (2R,5S)-4-[5-[(Z)-1-cyclopropylprop-1-enyl]-6-[2-(3,5-difluorophenyl)prop-2-enyl]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate
CID 168184998

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(7,8-dihydroquinazolin-4-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(7,8-dihydroquinazolin-4-yl)piperazine-1-carboxylate (CID 142987069) is tert-butyl 4-(7,8-dihydroquinazolin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(7,8-dihydroquinazolin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(7,8-dihydroquinazolin-4-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ncnc3c2C=CCC3)CC1.
What is the InChIKey of tert-butyl 4-(7,8-dihydroquinazolin-4-yl)piperazine-1-carboxylate?
The InChIKey is OMIXCEPSWVIWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-17(2,3)23-16(22)21-10-8-20(9-11-21)15-13-6-4-5-7-14(13)18-12-19-15/h4,6,12H,5,7-11H2,1-3H3.
What are the key properties of tert-butyl 4-(7,8-dihydroquinazolin-4-yl)piperazine-1-carboxylate?
tert-butyl 4-(7,8-dihydroquinazolin-4-yl)piperazine-1-carboxylate has a molecular weight of 316.41 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(7,8-dihydroquinazolin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 142987069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).