4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline-2-carboxylic acid

C19H17FN4O2 — CID 50852162

IUPAC4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline-2-carboxylic acid
SMILESO=C(O)c1nc(N2CCN(c3ccc(F)cc3)CC2)c2ccccc2n1
InChIInChI=1S/C19H17FN4O2/c20-13-5-7-14(8-6-13)23-9-11-24(12-10-23)18-15-3-1-2-4-16(15)21-17(22-18)19(25)26/h1-8H,9-12H2,(H,25,26)
InChIKeyKJHIBERECGNPHP-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.79
Rot. Bonds3

About 4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline-2-carboxylic acid

4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline-2-carboxylic acid (PubChem CID 50852162) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline-2-carboxylic acid.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline-2-carboxylic acid
PubChem CID50852162
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline-2-carboxylic acid
SMILESO=C(O)c1nc(N2CCN(c3ccc(F)cc3)CC2)c2ccccc2n1
InChIInChI=1S/C19H17FN4O2/c20-13-5-7-14(8-6-13)23-9-11-24(12-10-23)18-15-3-1-2-4-16(15)21-17(22-18)19(25)26/h1-8H,9-12H2,(H,25,26)
InChIKeyKJHIBERECGNPHP-UHFFFAOYSA-N
XLogP2.79
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylquinazoline
CID 141288937
4-[4-[2-(difluoromethyl)quinazolin-4-yl]piperazin-1-yl]benzamide
CID 133307590
4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)quinazoline-2-carboxylic acid
CID 106314467
[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42691070
4-[4-(methanesulfonamido)piperidin-1-yl]quinazoline-2-carboxylic acid
CID 71895342
2-ethyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 45030837
2-[4-[4-(3-chlorophenyl)piperazin-1-yl]quinazolin-2-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 22579321
[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-thiomorpholin-4-ylmethanone
CID 42691066
N-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide
CID 42691033
4-morpholin-4-yl-N-[2-(trifluoromethoxy)phenyl]quinazoline-2-carboxamide
CID 153158267
[4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone
CID 1022891
4-[1-(4-fluorophenyl)indazol-3-yl]piperazine-1-carboxylic acid
CID 19887075

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline-2-carboxylic acid?
The IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline-2-carboxylic acid (CID 50852162) is 4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline-2-carboxylic acid.
What is the SMILES notation for 4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline-2-carboxylic acid?
The canonical SMILES for 4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline-2-carboxylic acid is O=C(O)c1nc(N2CCN(c3ccc(F)cc3)CC2)c2ccccc2n1.
What is the InChIKey of 4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline-2-carboxylic acid?
The InChIKey is KJHIBERECGNPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c20-13-5-7-14(8-6-13)23-9-11-24(12-10-23)18-15-3-1-2-4-16(15)21-17(22-18)19(25)26/h1-8H,9-12H2,(H,25,26).
What are the key properties of 4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline-2-carboxylic acid?
4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline-2-carboxylic acid has a molecular weight of 352.37 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline-2-carboxylic acid is sourced from PubChem (CID 50852162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).