tert-butyl 4-quinazolin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate

C18H21N3O2 — CID 130378056

IUPACtert-butyl 4-quinazolin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(c2ncnc3ccccc23)CC1
InChIInChI=1S/C18H21N3O2/c1-18(2,3)23-17(22)21-10-8-13(9-11-21)16-14-6-4-5-7-15(14)19-12-20-16/h4-8,12H,9-11H2,1-3H3
InChIKeySDDLNCGTGNPXQC-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.65
Rot. Bonds1

About tert-butyl 4-quinazolin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-quinazolin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 130378056) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is tert-butyl 4-quinazolin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-quinazolin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID130378056
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Nametert-butyl 4-quinazolin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(c2ncnc3ccccc23)CC1
InChIInChI=1S/C18H21N3O2/c1-18(2,3)23-17(22)21-10-8-13(9-11-21)16-14-6-4-5-7-15(14)19-12-20-16/h4-8,12H,9-11H2,1-3H3
InChIKeySDDLNCGTGNPXQC-UHFFFAOYSA-N
XLogP3.65
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]quinazoline-7-carboxylic acid
CID 139469222
tert-butyl 4-(4-fluoronaphthalen-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 130377999
tert-butyl 4-(6-bromo-8-fluoroquinazolin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 176737012
tert-butyl 4-[4-methyl-1-(2-methylphenyl)-5-phenylpyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 177339494
tert-butyl 4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate;ethane
CID 144594549
tert-butyl 4-pyrimidin-5-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 142573654
tert-butyl 4-(1-methyl-4,5-diphenylimidazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 177339499
tert-butyl 4-thieno[2,3-b]pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 139630002
tert-butyl 4-(1,5-diphenyl-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 177339572
tert-butyl 4-(5-fluoro-3-phenylmethoxy-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170972814
tert-butyl 4-(3-phenylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 19705303
tert-butyl 4-(2,5-dichloropyrimidin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 171627326

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-quinazolin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-quinazolin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate (CID 130378056) is tert-butyl 4-quinazolin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-quinazolin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-quinazolin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CC=C(c2ncnc3ccccc23)CC1.
What is the InChIKey of tert-butyl 4-quinazolin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is SDDLNCGTGNPXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-18(2,3)23-17(22)21-10-8-13(9-11-21)16-14-6-4-5-7-15(14)19-12-20-16/h4-8,12H,9-11H2,1-3H3.
What are the key properties of tert-butyl 4-quinazolin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-quinazolin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 311.38 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-quinazolin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 130378056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).