2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide

C16H20FN3O3 — CID 24520750

IUPAC2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)Cn1cnc2cc(F)ccc2c1=O
InChIInChI=1S/C16H20FN3O3/c1-11(2)23-7-3-6-18-15(21)9-20-10-19-14-8-12(17)4-5-13(14)16(20)22/h4-5,8,10-11H,3,6-7,9H2,1-2H3,(H,18,21)
InChIKeyHUMNIBNNRMIRDR-UHFFFAOYSA-N
MW321.35 g/mol
LogP1.47
Rot. Bonds7

About 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide

2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 24520750) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID24520750
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)Cn1cnc2cc(F)ccc2c1=O
InChIInChI=1S/C16H20FN3O3/c1-11(2)23-7-3-6-18-15(21)9-20-10-19-14-8-12(17)4-5-13(14)16(20)22/h4-5,8,10-11H,3,6-7,9H2,1-2H3,(H,18,21)
InChIKeyHUMNIBNNRMIRDR-UHFFFAOYSA-N
XLogP1.47
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 24644271
N-[(1R)-1-cyclopropylethyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 40750663
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-pentylacetamide
CID 46585809
2-(6-fluoro-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 100743776
N-[[4-(ethoxymethyl)phenyl]methyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 167848621
N-[4-(4-fluorophenoxy)butyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 42572072
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 17458089
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide
CID 40743532
2-(7-bromo-4-oxoquinazolin-3-yl)-N-(3-methylbutyl)acetamide
CID 78961298
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 40743912
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
CID 17411760
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 55443771

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide (CID 24520750) is 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)Cn1cnc2cc(F)ccc2c1=O.
What is the InChIKey of 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is HUMNIBNNRMIRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3/c1-11(2)23-7-3-6-18-15(21)9-20-10-19-14-8-12(17)4-5-13(14)16(20)22/h4-5,8,10-11H,3,6-7,9H2,1-2H3,(H,18,21).
What are the key properties of 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide?
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 321.35 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 24520750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).