6-[3-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hydrazinyl]propyl]-1H-quinazoline-2,4-dione

C23H27FN4O3 — CID 142361181

IUPAC6-[3-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hydrazinyl]propyl]-1H-quinazoline-2,4-dione
SMILESCC(NNCCCc1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C23H27FN4O3/c1-14(17-7-8-19(24)21(12-17)31-13-16-4-5-16)28-25-10-2-3-15-6-9-20-18(11-15)22(29)27-23(30)26-20/h6-9,11-12,14,16,25,28H,2-5,10,13H2,1H3,(H2,26,27,29,30)
InChIKeyBHNZJUPOTNKFHW-UHFFFAOYSA-N
MW426.49 g/mol
LogP2.93
Rot. Bonds10

About 6-[3-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hydrazinyl]propyl]-1H-quinazoline-2,4-dione

6-[3-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hydrazinyl]propyl]-1H-quinazoline-2,4-dione (PubChem CID 142361181) has the molecular formula C23H27FN4O3 and a molecular weight of 426.49 g/mol. Its IUPAC name is 6-[3-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hydrazinyl]propyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-[3-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hydrazinyl]propyl]-1H-quinazoline-2,4-dione
PubChem CID142361181
Molecular FormulaC23H27FN4O3
Molecular Weight426.49 g/mol
Exact Mass426.21
IUPAC Name6-[3-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hydrazinyl]propyl]-1H-quinazoline-2,4-dione
SMILESCC(NNCCCc1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C23H27FN4O3/c1-14(17-7-8-19(24)21(12-17)31-13-16-4-5-16)28-25-10-2-3-15-6-9-20-18(11-15)22(29)27-23(30)26-20/h6-9,11-12,14,16,25,28H,2-5,10,13H2,1H3,(H2,26,27,29,30)
InChIKeyBHNZJUPOTNKFHW-UHFFFAOYSA-N
XLogP2.93
TPSA99.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 52.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[3-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hydrazinyl]propyl]-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-3-(1,3-dioxoisoindol-5-yl)propane-1-sulfonamide
CID 146228283
7-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpropyl]-1-hydroxy-2H-isoquinolin-3-one
CID 157393300
5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentan-1-amine
CID 142361186
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine
CID 142360265
1-[[5-[3-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]propyl]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione
CID 134553848
1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl]imidazolidine-2,4-dione
CID 142360249
N-[(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-4-(methylamino)butane-1-sulfonamide
CID 146228258
1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl]-1,3-diazinane-2,4-dione
CID 142399677
1-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(4-fluorophenyl)methyl]-2-(3-ethoxypropyl)hydrazine;ethane
CID 142399591
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 146352863
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(5-oxo-1,4-dihydropyrazol-3-yl)pentane-1-sulfonamide
CID 155370144
1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]butyl]hydrazinyl]pentyl]imidazolidine-2,4-dione
CID 142360570

Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hydrazinyl]propyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 6-[3-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hydrazinyl]propyl]-1H-quinazoline-2,4-dione (CID 142361181) is 6-[3-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hydrazinyl]propyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-[3-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hydrazinyl]propyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-[3-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hydrazinyl]propyl]-1H-quinazoline-2,4-dione is CC(NNCCCc1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of 6-[3-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hydrazinyl]propyl]-1H-quinazoline-2,4-dione?
The InChIKey is BHNZJUPOTNKFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3/c1-14(17-7-8-19(24)21(12-17)31-13-16-4-5-16)28-25-10-2-3-15-6-9-20-18(11-15)22(29)27-23(30)26-20/h6-9,11-12,14,16,25,28H,2-5,10,13H2,1H3,(H2,26,27,29,30).
What are the key properties of 6-[3-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hydrazinyl]propyl]-1H-quinazoline-2,4-dione?
6-[3-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hydrazinyl]propyl]-1H-quinazoline-2,4-dione has a molecular weight of 426.49 g/mol, XLogP of 2.93, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hydrazinyl]propyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 142361181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).