1-(4-fluorophenyl)-3-[3-(3-methoxypropyl)-2-oxoquinazolin-4-yl]urea

C19H19FN4O3 — CID 18584969

IUPAC1-(4-fluorophenyl)-3-[3-(3-methoxypropyl)-2-oxoquinazolin-4-yl]urea
SMILESCOCCCn1c(NC(=O)Nc2ccc(F)cc2)c2ccccc2nc1=O
InChIInChI=1S/C19H19FN4O3/c1-27-12-4-11-24-17(15-5-2-3-6-16(15)22-19(24)26)23-18(25)21-14-9-7-13(20)8-10-14/h2-3,5-10H,4,11-12H2,1H3,(H2,21,23,25)
InChIKeyAMMQZFHUJYXJTH-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.22
Rot. Bonds6

About 1-(4-fluorophenyl)-3-[3-(3-methoxypropyl)-2-oxoquinazolin-4-yl]urea

1-(4-fluorophenyl)-3-[3-(3-methoxypropyl)-2-oxoquinazolin-4-yl]urea (PubChem CID 18584969) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[3-(3-methoxypropyl)-2-oxoquinazolin-4-yl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[3-(3-methoxypropyl)-2-oxoquinazolin-4-yl]urea
PubChem CID18584969
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name1-(4-fluorophenyl)-3-[3-(3-methoxypropyl)-2-oxoquinazolin-4-yl]urea
SMILESCOCCCn1c(NC(=O)Nc2ccc(F)cc2)c2ccccc2nc1=O
InChIInChI=1S/C19H19FN4O3/c1-27-12-4-11-24-17(15-5-2-3-6-16(15)22-19(24)26)23-18(25)21-14-9-7-13(20)8-10-14/h2-3,5-10H,4,11-12H2,1H3,(H2,21,23,25)
InChIKeyAMMQZFHUJYXJTH-UHFFFAOYSA-N
XLogP3.22
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[3-(3-methoxypropyl)-2-oxoquinazolin-4-yl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[3-(3-methoxypropyl)-2-oxoquinazolin-4-yl]urea (CID 18584969) is 1-(4-fluorophenyl)-3-[3-(3-methoxypropyl)-2-oxoquinazolin-4-yl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[3-(3-methoxypropyl)-2-oxoquinazolin-4-yl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[3-(3-methoxypropyl)-2-oxoquinazolin-4-yl]urea is COCCCn1c(NC(=O)Nc2ccc(F)cc2)c2ccccc2nc1=O.
What is the InChIKey of 1-(4-fluorophenyl)-3-[3-(3-methoxypropyl)-2-oxoquinazolin-4-yl]urea?
The InChIKey is AMMQZFHUJYXJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-27-12-4-11-24-17(15-5-2-3-6-16(15)22-19(24)26)23-18(25)21-14-9-7-13(20)8-10-14/h2-3,5-10H,4,11-12H2,1H3,(H2,21,23,25).
What are the key properties of 1-(4-fluorophenyl)-3-[3-(3-methoxypropyl)-2-oxoquinazolin-4-yl]urea?
1-(4-fluorophenyl)-3-[3-(3-methoxypropyl)-2-oxoquinazolin-4-yl]urea has a molecular weight of 370.38 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[3-(3-methoxypropyl)-2-oxoquinazolin-4-yl]urea is sourced from PubChem (CID 18584969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).