1-[5-(3-fluorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid

C20H18FN3O2 — CID 134220206

IUPAC1-[5-(3-fluorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2ncnc3cccc(-c4cccc(F)c4)c23)C1
InChIInChI=1S/C20H18FN3O2/c21-15-6-1-4-13(10-15)16-7-2-8-17-18(16)19(23-12-22-17)24-9-3-5-14(11-24)20(25)26/h1-2,4,6-8,10,12,14H,3,5,9,11H2,(H,25,26)
InChIKeyMURXJQUZLJITQQ-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.74
Rot. Bonds3

About 1-[5-(3-fluorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid

1-[5-(3-fluorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid (PubChem CID 134220206) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 1-[5-(3-fluorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[5-(3-fluorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
PubChem CID134220206
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name1-[5-(3-fluorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2ncnc3cccc(-c4cccc(F)c4)c23)C1
InChIInChI=1S/C20H18FN3O2/c21-15-6-1-4-13(10-15)16-7-2-8-17-18(16)19(23-12-22-17)24-9-3-5-14(11-24)20(25)26/h1-2,4,6-8,10,12,14H,3,5,9,11H2,(H,25,26)
InChIKeyMURXJQUZLJITQQ-UHFFFAOYSA-N
XLogP3.74
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(3-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220226
(3R)-1-[5-(3-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220358
1-(5-naphthalen-2-ylquinazolin-4-yl)piperidine-3-carboxylic acid
CID 134210616
(3S)-1-[5-(4-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220216
1-(5-piperidin-1-ylquinazolin-4-yl)piperidine-3-carboxylic acid
CID 134220212
1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidine-3-carboxamide
CID 134210536
1-[5-(4-chlorothiophen-2-yl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134210570
1-[5-(1-benzofuran-4-yl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134210414
1-(8-fluoro-5-phenylquinazolin-4-yl)piperidine-3-carboxylic acid
CID 134210538
3-[1-[5-(3,5-dimethylphenyl)quinazolin-4-yl]piperidin-3-yl]-3-oxopropanoic acid
CID 142278514
1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]-N-methylsulfanylpiperidine-3-carboxamide
CID 134220274
1-(5-morpholin-4-ylquinazolin-4-yl)piperidine-3-carboxylic acid
CID 134220166

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[5-(3-fluorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid (CID 134220206) is 1-[5-(3-fluorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[5-(3-fluorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[5-(3-fluorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(c2ncnc3cccc(-c4cccc(F)c4)c23)C1.
What is the InChIKey of 1-[5-(3-fluorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid?
The InChIKey is MURXJQUZLJITQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c21-15-6-1-4-13(10-15)16-7-2-8-17-18(16)19(23-12-22-17)24-9-3-5-14(11-24)20(25)26/h1-2,4,6-8,10,12,14H,3,5,9,11H2,(H,25,26).
What are the key properties of 1-[5-(3-fluorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid?
1-[5-(3-fluorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid has a molecular weight of 351.38 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid is sourced from PubChem (CID 134220206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).