2-[(1S)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3H-quinazolin-4-one

C17H19N5O — CID 136885620

IUPAC2-[(1S)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3H-quinazolin-4-one
SMILESCc1cnn(C2CN([C@@H](C)c3nc4ccccc4c(=O)[nH]3)C2)c1
InChIInChI=1S/C17H19N5O/c1-11-7-18-22(8-11)13-9-21(10-13)12(2)16-19-15-6-4-3-5-14(15)17(23)20-16/h3-8,12-13H,9-10H2,1-2H3,(H,19,20,23)/t12-/m0/s1
InChIKeyQNRQDTNRUQDNPO-LBPRGKRZSA-N
MW309.37 g/mol
LogP2.05
Rot. Bonds3

About 2-[(1S)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3H-quinazolin-4-one

2-[(1S)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3H-quinazolin-4-one (PubChem CID 136885620) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[(1S)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(1S)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3H-quinazolin-4-one
PubChem CID136885620
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2-[(1S)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3H-quinazolin-4-one
SMILESCc1cnn(C2CN([C@@H](C)c3nc4ccccc4c(=O)[nH]3)C2)c1
InChIInChI=1S/C17H19N5O/c1-11-7-18-22(8-11)13-9-21(10-13)12(2)16-19-15-6-4-3-5-14(15)17(23)20-16/h3-8,12-13H,9-10H2,1-2H3,(H,19,20,23)/t12-/m0/s1
InChIKeyQNRQDTNRUQDNPO-LBPRGKRZSA-N
XLogP2.05
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(1S)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

2-[(1S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3H-quinazolin-4-one
CID 135612866
2-[1-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136912907
2-(1-morpholin-4-ylethyl)-3H-quinazolin-4-one
CID 135406762
2-[(1R)-1-(4-benzylpiperidin-1-yl)ethyl]-3H-quinazolin-4-one
CID 135612926
2-[(1R)-1-[(2R)-2-methylmorpholin-4-yl]ethyl]-3H-quinazolin-4-one
CID 136756837
2-[1-(4-phenylpiperazin-1-yl)ethyl]-3H-quinazolin-4-one
CID 135952975
2-[(1S)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136898181
2-[1-(3-oxopiperazin-1-yl)ethyl]-3H-quinazolin-4-one
CID 135997912
2-[(1R)-1-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]ethyl]-3H-quinazolin-4-one
CID 136857266
2-[(1R)-1-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]ethyl]-3H-quinazolin-4-one
CID 136857265
2-[(1R)-1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 135954337
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-[(1S)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(1S)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3H-quinazolin-4-one (CID 136885620) is 2-[(1S)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(1S)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(1S)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3H-quinazolin-4-one is Cc1cnn(C2CN([C@@H](C)c3nc4ccccc4c(=O)[nH]3)C2)c1.
What is the InChIKey of 2-[(1S)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3H-quinazolin-4-one?
The InChIKey is QNRQDTNRUQDNPO-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19N5O/c1-11-7-18-22(8-11)13-9-21(10-13)12(2)16-19-15-6-4-3-5-14(15)17(23)20-16/h3-8,12-13H,9-10H2,1-2H3,(H,19,20,23)/t12-/m0/s1.
What are the key properties of 2-[(1S)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3H-quinazolin-4-one?
2-[(1S)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3H-quinazolin-4-one has a molecular weight of 309.37 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 136885620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).