N-benzyl-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide

C20H20FN3O2 — CID 40743682

IUPACN-benzyl-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)Cn1cnc2cc(F)ccc2c1=O
InChIInChI=1S/C20H20FN3O2/c1-14(2)24(11-15-6-4-3-5-7-15)19(25)12-23-13-22-18-10-16(21)8-9-17(18)20(23)26/h3-10,13-14H,11-12H2,1-2H3
InChIKeyVRMXHDJPGLSODW-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.97
Rot. Bonds5

About N-benzyl-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide

N-benzyl-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide (PubChem CID 40743682) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-benzyl-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide
PubChem CID40743682
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-benzyl-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)Cn1cnc2cc(F)ccc2c1=O
InChIInChI=1S/C20H20FN3O2/c1-14(2)24(11-15-6-4-3-5-7-15)19(25)12-23-13-22-18-10-16(21)8-9-17(18)20(23)26/h3-10,13-14H,11-12H2,1-2H3
InChIKeyVRMXHDJPGLSODW-UHFFFAOYSA-N
XLogP2.97
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzimidazol-1-yl)-N-benzyl-N-propan-2-ylacetamide
CID 16994989
N-benzyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-propan-2-ylacetamide
CID 27559502
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 17422564
3-benzyl-7-fluoroquinazolin-4-one
CID 17474862
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 27190120
N-(1-adamantyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 27190264
7-fluoro-3-[[3-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]phenyl]methyl]quinazolin-4-one
CID 27076082
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one
CID 40743761
3-[2-(2,5-diethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one
CID 40743883
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 24520750
3-(7-fluoro-4-oxoquinazolin-3-yl)propanoic acid
CID 112707958
N-[(1R)-1-cyclopropylethyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 40750663

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide (CID 40743682) is N-benzyl-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide is CC(C)N(Cc1ccccc1)C(=O)Cn1cnc2cc(F)ccc2c1=O.
What is the InChIKey of N-benzyl-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide?
The InChIKey is VRMXHDJPGLSODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-14(2)24(11-15-6-4-3-5-7-15)19(25)12-23-13-22-18-10-16(21)8-9-17(18)20(23)26/h3-10,13-14H,11-12H2,1-2H3.
What are the key properties of N-benzyl-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide?
N-benzyl-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide has a molecular weight of 353.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 40743682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).