2-[2-[[(2S)-1-(4-oxoquinazolin-3-yl)propan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione

C17H19N5O3 — CID 95230535

IUPAC2-[2-[[(2S)-1-(4-oxoquinazolin-3-yl)propan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione
SMILESC[C@@H](Cn1cnc2ccccc2c1=O)NCCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C17H19N5O3/c1-12(18-8-9-22-16(24)7-6-15(23)20-22)10-21-11-19-14-5-3-2-4-13(14)17(21)25/h2-7,11-12,18H,8-10H2,1H3,(H,20,23)/t12-/m0/s1
InChIKeyMDCWLTVXZVPFDM-LBPRGKRZSA-N
MW341.37 g/mol
LogP-0.08
Rot. Bonds6

About 2-[2-[[(2S)-1-(4-oxoquinazolin-3-yl)propan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione

2-[2-[[(2S)-1-(4-oxoquinazolin-3-yl)propan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione (PubChem CID 95230535) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[2-[[(2S)-1-(4-oxoquinazolin-3-yl)propan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-[[(2S)-1-(4-oxoquinazolin-3-yl)propan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione
PubChem CID95230535
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name2-[2-[[(2S)-1-(4-oxoquinazolin-3-yl)propan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione
SMILESC[C@@H](Cn1cnc2ccccc2c1=O)NCCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C17H19N5O3/c1-12(18-8-9-22-16(24)7-6-15(23)20-22)10-21-11-19-14-5-3-2-4-13(14)17(21)25/h2-7,11-12,18H,8-10H2,1H3,(H,20,23)/t12-/m0/s1
InChIKeyMDCWLTVXZVPFDM-LBPRGKRZSA-N
XLogP-0.08
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-[[(2S)-1-(4-oxoquinazolin-3-yl)propan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione with MolForge

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Related Compounds

3-[(2R)-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methylamino]propyl]quinazolin-4-one
CID 137148228
3-[2-(heptan-2-ylamino)ethyl]quinazolin-4-one
CID 62563376
3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propyl]quinazolin-4-one
CID 131920058
3-[2-(pentan-3-ylamino)ethyl]quinazolin-4-one
CID 3026522
3-[2-[1-(furan-2-yl)ethylamino]ethyl]quinazolin-4-one
CID 62563208
3-[3-(3-phenylpropylamino)butyl]quinazolin-4-one
CID 136821785
3-[2-(nonan-5-ylamino)ethyl]quinazolin-4-one
CID 3026481
2-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyridazine-3,6-dione
CID 39755774
3-propylquinazolin-4-one
CID 529124
3-[2-[(5-methoxy-1H-indol-2-yl)methylamino]propyl]quinazolin-4-one
CID 56717154
3-[2-(ethylamino)-3-methoxypropyl]quinazolin-4-one
CID 107506094
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2S)-1-(4-oxoquinazolin-3-yl)propan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-[[(2S)-1-(4-oxoquinazolin-3-yl)propan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione (CID 95230535) is 2-[2-[[(2S)-1-(4-oxoquinazolin-3-yl)propan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-[[(2S)-1-(4-oxoquinazolin-3-yl)propan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-[[(2S)-1-(4-oxoquinazolin-3-yl)propan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione is C[C@@H](Cn1cnc2ccccc2c1=O)NCCn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-[2-[[(2S)-1-(4-oxoquinazolin-3-yl)propan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione?
The InChIKey is MDCWLTVXZVPFDM-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-12(18-8-9-22-16(24)7-6-15(23)20-22)10-21-11-19-14-5-3-2-4-13(14)17(21)25/h2-7,11-12,18H,8-10H2,1H3,(H,20,23)/t12-/m0/s1.
What are the key properties of 2-[2-[[(2S)-1-(4-oxoquinazolin-3-yl)propan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione?
2-[2-[[(2S)-1-(4-oxoquinazolin-3-yl)propan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione has a molecular weight of 341.37 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2S)-1-(4-oxoquinazolin-3-yl)propan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 95230535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).