2-(1-morpholin-4-ylethyl)-3H-quinazolin-4-one

C14H17N3O2 — CID 135406762

IUPAC2-(1-morpholin-4-ylethyl)-3H-quinazolin-4-one
SMILESCC(c1nc2ccccc2c(=O)[nH]1)N1CCOCC1
InChIInChI=1S/C14H17N3O2/c1-10(17-6-8-19-9-7-17)13-15-12-5-3-2-4-11(12)14(18)16-13/h2-5,10H,6-9H2,1H3,(H,15,16,18)
InChIKeyGPPSURBBZDMJLN-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.32
Rot. Bonds2

About 2-(1-morpholin-4-ylethyl)-3H-quinazolin-4-one

2-(1-morpholin-4-ylethyl)-3H-quinazolin-4-one (PubChem CID 135406762) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(1-morpholin-4-ylethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(1-morpholin-4-ylethyl)-3H-quinazolin-4-one
PubChem CID135406762
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(1-morpholin-4-ylethyl)-3H-quinazolin-4-one
SMILESCC(c1nc2ccccc2c(=O)[nH]1)N1CCOCC1
InChIInChI=1S/C14H17N3O2/c1-10(17-6-8-19-9-7-17)13-15-12-5-3-2-4-11(12)14(18)16-13/h2-5,10H,6-9H2,1H3,(H,15,16,18)
InChIKeyGPPSURBBZDMJLN-UHFFFAOYSA-N
XLogP1.32
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-phenylpiperazin-1-yl)ethyl]-3H-quinazolin-4-one
CID 135952975
2-[(1R)-1-[(2R)-2-methylmorpholin-4-yl]ethyl]-3H-quinazolin-4-one
CID 136756837
2-[(1R)-1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 135954337
2-[(1S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3H-quinazolin-4-one
CID 135612866
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-[1-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136912907
2-[(1S)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 135722471
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-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3H-quinazolin-4-one
CID 136733854

Frequently Asked Questions

What is the IUPAC name of 2-(1-morpholin-4-ylethyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(1-morpholin-4-ylethyl)-3H-quinazolin-4-one (CID 135406762) is 2-(1-morpholin-4-ylethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(1-morpholin-4-ylethyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(1-morpholin-4-ylethyl)-3H-quinazolin-4-one is CC(c1nc2ccccc2c(=O)[nH]1)N1CCOCC1.
What is the InChIKey of 2-(1-morpholin-4-ylethyl)-3H-quinazolin-4-one?
The InChIKey is GPPSURBBZDMJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10(17-6-8-19-9-7-17)13-15-12-5-3-2-4-11(12)14(18)16-13/h2-5,10H,6-9H2,1H3,(H,15,16,18).
What are the key properties of 2-(1-morpholin-4-ylethyl)-3H-quinazolin-4-one?
2-(1-morpholin-4-ylethyl)-3H-quinazolin-4-one has a molecular weight of 259.31 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-morpholin-4-ylethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135406762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).