N-[2-(diethylamino)-3-phenylpropyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide

C23H27FN4O2 — CID 46413948

IUPACN-[2-(diethylamino)-3-phenylpropyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
SMILESCCN(CC)C(CNC(=O)Cn1cnc2ccc(F)cc2c1=O)Cc1ccccc1
InChIInChI=1S/C23H27FN4O2/c1-3-27(4-2)19(12-17-8-6-5-7-9-17)14-25-22(29)15-28-16-26-21-11-10-18(24)13-20(21)23(28)30/h5-11,13,16,19H,3-4,12,14-15H2,1-2H3,(H,25,29)
InChIKeyJCVVVSPUPJMQCQ-UHFFFAOYSA-N
MW410.49 g/mol
LogP2.60
Rot. Bonds9

About N-[2-(diethylamino)-3-phenylpropyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide

N-[2-(diethylamino)-3-phenylpropyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 46413948) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is N-[2-(diethylamino)-3-phenylpropyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-3-phenylpropyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
PubChem CID46413948
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC NameN-[2-(diethylamino)-3-phenylpropyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
SMILESCCN(CC)C(CNC(=O)Cn1cnc2ccc(F)cc2c1=O)Cc1ccccc1
InChIInChI=1S/C23H27FN4O2/c1-3-27(4-2)19(12-17-8-6-5-7-9-17)14-25-22(29)15-28-16-26-21-11-10-18(24)13-20(21)23(28)30/h5-11,13,16,19H,3-4,12,14-15H2,1-2H3,(H,25,29)
InChIKeyJCVVVSPUPJMQCQ-UHFFFAOYSA-N
XLogP2.60
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylhexyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46581687
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-phenylmethoxyacetamide
CID 47023949
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide
CID 46585768
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-pentylacetamide
CID 46585809
N-(3-ethylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46583999
N-ethyl-2-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-phenylacetamide
CID 55891024
N-[2-(dimethylamino)-3-phenylpropyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51270885
N-[2-(diethylamino)-3-phenylpropyl]-2-(9-oxoacridin-10-yl)acetamide
CID 43063424
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 42952638
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 30840318
N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 7886509
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 46581294

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide (CID 46413948) is N-[2-(diethylamino)-3-phenylpropyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[2-(diethylamino)-3-phenylpropyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[2-(diethylamino)-3-phenylpropyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide is CCN(CC)C(CNC(=O)Cn1cnc2ccc(F)cc2c1=O)Cc1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-3-phenylpropyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is JCVVVSPUPJMQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-3-27(4-2)19(12-17-8-6-5-7-9-17)14-25-22(29)15-28-16-26-21-11-10-18(24)13-20(21)23(28)30/h5-11,13,16,19H,3-4,12,14-15H2,1-2H3,(H,25,29).
What are the key properties of N-[2-(diethylamino)-3-phenylpropyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
N-[2-(diethylamino)-3-phenylpropyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 410.49 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-3-phenylpropyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 46413948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).