2-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylquinazolin-6-yl)acetamide

C20H19FN4O — CID 53140564

IUPAC2-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylquinazolin-6-yl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc2ncnc(N3CCCC3)c2c1
InChIInChI=1S/C20H19FN4O/c21-15-5-3-14(4-6-15)11-19(26)24-16-7-8-18-17(12-16)20(23-13-22-18)25-9-1-2-10-25/h3-8,12-13H,1-2,9-11H2,(H,24,26)
InChIKeyLAOYFGKZCJGFGG-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.55
Rot. Bonds4

About 2-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylquinazolin-6-yl)acetamide

2-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylquinazolin-6-yl)acetamide (PubChem CID 53140564) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylquinazolin-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylquinazolin-6-yl)acetamide
PubChem CID53140564
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name2-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylquinazolin-6-yl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc2ncnc(N3CCCC3)c2c1
InChIInChI=1S/C20H19FN4O/c21-15-5-3-14(4-6-15)11-19(26)24-16-7-8-18-17(12-16)20(23-13-22-18)25-9-1-2-10-25/h3-8,12-13H,1-2,9-11H2,(H,24,26)
InChIKeyLAOYFGKZCJGFGG-UHFFFAOYSA-N
XLogP3.55
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[[4-(4-fluoroanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide
CID 175520373
N-[4-(4-fluoroanilino)quinazolin-6-yl]-2-(4-nitrophenyl)acetamide
CID 72737073
2-ethoxy-N-(4-pyrrolidin-1-ylquinazolin-7-yl)acetamide
CID 53137372
1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid
CID 71563722
N-[(4-fluorophenyl)methyl]-2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196338
N-(1,3-benzoxazol-6-yl)-2-(4-fluorophenyl)acetamide
CID 110728862
2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 133475566
2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 53196498
2-(4-fluorophenyl)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 7593264
N-(2,3-dimethylquinoxalin-6-yl)-2-(4-fluorophenyl)acetamide
CID 110723812
5-chloro-2-methoxy-N-(4-pyrrolidin-1-ylquinazolin-6-yl)benzamide
CID 53140541
2-(4-fluorophenyl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide
CID 24899958

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylquinazolin-6-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylquinazolin-6-yl)acetamide (CID 53140564) is 2-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylquinazolin-6-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylquinazolin-6-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylquinazolin-6-yl)acetamide is O=C(Cc1ccc(F)cc1)Nc1ccc2ncnc(N3CCCC3)c2c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylquinazolin-6-yl)acetamide?
The InChIKey is LAOYFGKZCJGFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-15-5-3-14(4-6-15)11-19(26)24-16-7-8-18-17(12-16)20(23-13-22-18)25-9-1-2-10-25/h3-8,12-13H,1-2,9-11H2,(H,24,26).
What are the key properties of 2-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylquinazolin-6-yl)acetamide?
2-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylquinazolin-6-yl)acetamide has a molecular weight of 350.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylquinazolin-6-yl)acetamide is sourced from PubChem (CID 53140564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).