tert-butyl 7-(6-hydroxyquinolin-2-yl)-2-methyl-6-oxo-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidine-1-carboxylate

C22H24N4O4 — CID 170056552

IUPACtert-butyl 7-(6-hydroxyquinolin-2-yl)-2-methyl-6-oxo-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidine-1-carboxylate
SMILESCC1CCn2c(ncc(-c3ccc4cc(O)ccc4n3)c2=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C22H24N4O4/c1-13-9-10-25-19(28)16(12-23-20(25)26(13)21(29)30-22(2,3)4)18-7-5-14-11-15(27)6-8-17(14)24-18/h5-8,11-13,27H,9-10H2,1-4H3
InChIKeyXPPVEMCBVUAMHE-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.70
Rot. Bonds1

About tert-butyl 7-(6-hydroxyquinolin-2-yl)-2-methyl-6-oxo-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidine-1-carboxylate

tert-butyl 7-(6-hydroxyquinolin-2-yl)-2-methyl-6-oxo-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidine-1-carboxylate (PubChem CID 170056552) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is tert-butyl 7-(6-hydroxyquinolin-2-yl)-2-methyl-6-oxo-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-(6-hydroxyquinolin-2-yl)-2-methyl-6-oxo-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidine-1-carboxylate
PubChem CID170056552
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Nametert-butyl 7-(6-hydroxyquinolin-2-yl)-2-methyl-6-oxo-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidine-1-carboxylate
SMILESCC1CCn2c(ncc(-c3ccc4cc(O)ccc4n3)c2=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C22H24N4O4/c1-13-9-10-25-19(28)16(12-23-20(25)26(13)21(29)30-22(2,3)4)18-7-5-14-11-15(27)6-8-17(14)24-18/h5-8,11-13,27H,9-10H2,1-4H3
InChIKeyXPPVEMCBVUAMHE-UHFFFAOYSA-N
XLogP3.70
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 7-(6-hydroxyquinolin-2-yl)-2-methyl-6-oxo-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 7-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-2-methyl-6-oxo-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidine-1-carboxylate
CID 170056553
tert-butyl 6-hydroxy-2-methyl-2,3-dihydroindole-1-carboxylate
CID 130067891
tert-butyl 3-[(5-hydroxyindazol-2-yl)methyl]azetidine-1-carboxylate
CID 130407304
tert-butyl 5-hydroxyindazole-1-carboxylate
CID 118798018
tert-butyl 4-quinolin-3-ylpiperidine-1-carboxylate
CID 102136032
tert-butyl (3R,6R)-3,6-dimethyl-2-oxopiperidine-1-carboxylate
CID 11736302
tert-butyl 2-(6-hydroxynaphthalen-2-yl)-4,5-dihydroimidazole-1-carboxylate
CID 139927395
tert-butyl (3R)-3-[[6-hydroxy-2-(2-methylphenyl)-4-oxoquinazolin-3-yl]methyl]piperidine-1-carboxylate
CID 91566879
tert-butyl (2S,5S)-2-methyl-5-[4-[4-[2-[2-[(2S,5S)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]quinolin-6-yl]phenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate
CID 58498902
tert-butyl (2R)-7-chloro-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 146423078
tert-butyl (2S)-2-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
CID 122364870
tert-butyl (2S)-2-[5-(2-chloroquinolin-6-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-(6-hydroxyquinolin-2-yl)-2-methyl-6-oxo-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidine-1-carboxylate?
The IUPAC name of tert-butyl 7-(6-hydroxyquinolin-2-yl)-2-methyl-6-oxo-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidine-1-carboxylate (CID 170056552) is tert-butyl 7-(6-hydroxyquinolin-2-yl)-2-methyl-6-oxo-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidine-1-carboxylate.
What is the SMILES notation for tert-butyl 7-(6-hydroxyquinolin-2-yl)-2-methyl-6-oxo-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidine-1-carboxylate?
The canonical SMILES for tert-butyl 7-(6-hydroxyquinolin-2-yl)-2-methyl-6-oxo-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidine-1-carboxylate is CC1CCn2c(ncc(-c3ccc4cc(O)ccc4n3)c2=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 7-(6-hydroxyquinolin-2-yl)-2-methyl-6-oxo-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidine-1-carboxylate?
The InChIKey is XPPVEMCBVUAMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-13-9-10-25-19(28)16(12-23-20(25)26(13)21(29)30-22(2,3)4)18-7-5-14-11-15(27)6-8-17(14)24-18/h5-8,11-13,27H,9-10H2,1-4H3.
What are the key properties of tert-butyl 7-(6-hydroxyquinolin-2-yl)-2-methyl-6-oxo-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidine-1-carboxylate?
tert-butyl 7-(6-hydroxyquinolin-2-yl)-2-methyl-6-oxo-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidine-1-carboxylate has a molecular weight of 408.46 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-(6-hydroxyquinolin-2-yl)-2-methyl-6-oxo-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidine-1-carboxylate is sourced from PubChem (CID 170056552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).