ethyl 1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]piperidine-4-carboxylate

C18H23N3O3 — CID 135612942

IUPACethyl 1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN([C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C18H23N3O3/c1-3-24-18(23)13-8-10-21(11-9-13)12(2)16-19-15-7-5-4-6-14(15)17(22)20-16/h4-7,12-13H,3,8-11H2,1-2H3,(H,19,20,22)/t12-/m1/s1
InChIKeyZDRWVEGXILQGLU-GFCCVEGCSA-N
MW329.40 g/mol
LogP2.26
Rot. Bonds4

About ethyl 1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]piperidine-4-carboxylate

ethyl 1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]piperidine-4-carboxylate (PubChem CID 135612942) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is ethyl 1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]piperidine-4-carboxylate
PubChem CID135612942
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Nameethyl 1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN([C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C18H23N3O3/c1-3-24-18(23)13-8-10-21(11-9-13)12(2)16-19-15-7-5-4-6-14(15)17(22)20-16/h4-7,12-13H,3,8-11H2,1-2H3,(H,19,20,22)/t12-/m1/s1
InChIKeyZDRWVEGXILQGLU-GFCCVEGCSA-N
XLogP2.26
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]piperidine-3-carboxylate
CID 135952979
1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-N-phenylpiperidine-4-carboxamide
CID 135751825
2-[(1R)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136892706
2-[(1R)-1-(4-benzylpiperidin-1-yl)ethyl]-3H-quinazolin-4-one
CID 135612926
2-[1-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136912907
2-[1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 137152274
ethyl 1-[1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidine-4-carboxylate
CID 51167935
ethyl 1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidin-1-ium-4-carboxylate
CID 135612943
2-(1-morpholin-4-ylethyl)-3H-quinazolin-4-one
CID 135406762
2-[1-(4-phenylpiperazin-1-yl)ethyl]-3H-quinazolin-4-one
CID 135952975
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 135745906
2-[(1R)-1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 135954337

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]piperidine-4-carboxylate (CID 135612942) is ethyl 1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN([C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1.
What is the InChIKey of ethyl 1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]piperidine-4-carboxylate?
The InChIKey is ZDRWVEGXILQGLU-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-24-18(23)13-8-10-21(11-9-13)12(2)16-19-15-7-5-4-6-14(15)17(22)20-16/h4-7,12-13H,3,8-11H2,1-2H3,(H,19,20,22)/t12-/m1/s1.
What are the key properties of ethyl 1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]piperidine-4-carboxylate?
ethyl 1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]piperidine-4-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]piperidine-4-carboxylate is sourced from PubChem (CID 135612942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).