2-[(1S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3H-quinazolin-4-one

C16H21N3O2 — CID 135612866

IUPAC2-[(1S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3H-quinazolin-4-one
SMILESC[C@@H]1CN([C@@H](C)c2nc3ccccc3c(=O)[nH]2)C[C@H](C)O1
InChIInChI=1S/C16H21N3O2/c1-10-8-19(9-11(2)21-10)12(3)15-17-14-7-5-4-6-13(14)16(20)18-15/h4-7,10-12H,8-9H2,1-3H3,(H,17,18,20)/t10-,11+,12-/m0/s1
InChIKeyWPOIVUCOTOMKRW-TUAOUCFPSA-N
MW287.36 g/mol
LogP2.09
Rot. Bonds2

About 2-[(1S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3H-quinazolin-4-one

2-[(1S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3H-quinazolin-4-one (PubChem CID 135612866) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[(1S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(1S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3H-quinazolin-4-one
PubChem CID135612866
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[(1S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3H-quinazolin-4-one
SMILESC[C@@H]1CN([C@@H](C)c2nc3ccccc3c(=O)[nH]2)C[C@H](C)O1
InChIInChI=1S/C16H21N3O2/c1-10-8-19(9-11(2)21-10)12(3)15-17-14-7-5-4-6-13(14)16(20)18-15/h4-7,10-12H,8-9H2,1-3H3,(H,17,18,20)/t10-,11+,12-/m0/s1
InChIKeyWPOIVUCOTOMKRW-TUAOUCFPSA-N
XLogP2.09
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

2-[(1R)-1-[(2R)-2-methylmorpholin-4-yl]ethyl]-3H-quinazolin-4-one
CID 136756837
2-(1-morpholin-4-ylethyl)-3H-quinazolin-4-one
CID 135406762
2-[1-(4-phenylpiperazin-1-yl)ethyl]-3H-quinazolin-4-one
CID 135952975
2-[1-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136912907
2-[(1S)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136885620
2-[1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 135620653
2-[1-(3-oxopiperazin-1-yl)ethyl]-3H-quinazolin-4-one
CID 135997912
2-[(1R)-1-(4-benzylpiperidin-1-yl)ethyl]-3H-quinazolin-4-one
CID 135612926
2-[(1R)-1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 135954337
2-[(1R)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136892706
2-[1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 137152274
2-[(1R)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 135890785

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(1S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3H-quinazolin-4-one (CID 135612866) is 2-[(1S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(1S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(1S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3H-quinazolin-4-one is C[C@@H]1CN([C@@H](C)c2nc3ccccc3c(=O)[nH]2)C[C@H](C)O1.
What is the InChIKey of 2-[(1S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3H-quinazolin-4-one?
The InChIKey is WPOIVUCOTOMKRW-TUAOUCFPSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10-8-19(9-11(2)21-10)12(3)15-17-14-7-5-4-6-13(14)16(20)18-15/h4-7,10-12H,8-9H2,1-3H3,(H,17,18,20)/t10-,11+,12-/m0/s1.
What are the key properties of 2-[(1S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3H-quinazolin-4-one?
2-[(1S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3H-quinazolin-4-one has a molecular weight of 287.36 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135612866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).