1-(8-fluoro-5-phenylquinazolin-4-yl)piperidine-3-carboxylic acid

C20H18FN3O2 — CID 134210538

IUPAC1-(8-fluoro-5-phenylquinazolin-4-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2ncnc3c(F)ccc(-c4ccccc4)c23)C1
InChIInChI=1S/C20H18FN3O2/c21-16-9-8-15(13-5-2-1-3-6-13)17-18(16)22-12-23-19(17)24-10-4-7-14(11-24)20(25)26/h1-3,5-6,8-9,12,14H,4,7,10-11H2,(H,25,26)
InChIKeyXPJAKUVAHNQXOG-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.74
Rot. Bonds3

About 1-(8-fluoro-5-phenylquinazolin-4-yl)piperidine-3-carboxylic acid

1-(8-fluoro-5-phenylquinazolin-4-yl)piperidine-3-carboxylic acid (PubChem CID 134210538) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 1-(8-fluoro-5-phenylquinazolin-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(8-fluoro-5-phenylquinazolin-4-yl)piperidine-3-carboxylic acid
PubChem CID134210538
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name1-(8-fluoro-5-phenylquinazolin-4-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2ncnc3c(F)ccc(-c4ccccc4)c23)C1
InChIInChI=1S/C20H18FN3O2/c21-16-9-8-15(13-5-2-1-3-6-13)17-18(16)22-12-23-19(17)24-10-4-7-14(11-24)20(25)26/h1-3,5-6,8-9,12,14H,4,7,10-11H2,(H,25,26)
InChIKeyXPJAKUVAHNQXOG-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

(3R)-1-[5-(4-chloro-3-fluorophenyl)-8-fluoroquinazolin-4-yl]piperidine-3-carboxylic acid
CID 142278694
1-(7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 110277679
(3S)-1-[5-(4-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220216
methyl 1-[8-fluoro-5-(4-fluoro-3-methylphenyl)quinazolin-4-yl]piperidine-3-carboxylate
CID 134210589
1-[5-(3-fluorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220206
(3R)-1-[5-(3-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220358
[1-[5-(2-chlorophenyl)-8-fluoroquinazolin-4-yl]piperidin-3-yl]methanol
CID 134220181
1-[5-(3-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220226
1-(5-naphthalen-2-ylquinazolin-4-yl)piperidine-3-carboxylic acid
CID 134210616
(3S)-1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 157377652
1-[5-(3,4-dichlorophenyl)-8-fluoroquinazolin-4-yl]piperidine-3-carbaldehyde
CID 142278663
1-(5-piperidin-1-ylquinazolin-4-yl)piperidine-3-carboxylic acid
CID 134220212

Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoro-5-phenylquinazolin-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(8-fluoro-5-phenylquinazolin-4-yl)piperidine-3-carboxylic acid (CID 134210538) is 1-(8-fluoro-5-phenylquinazolin-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(8-fluoro-5-phenylquinazolin-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(8-fluoro-5-phenylquinazolin-4-yl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(c2ncnc3c(F)ccc(-c4ccccc4)c23)C1.
What is the InChIKey of 1-(8-fluoro-5-phenylquinazolin-4-yl)piperidine-3-carboxylic acid?
The InChIKey is XPJAKUVAHNQXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c21-16-9-8-15(13-5-2-1-3-6-13)17-18(16)22-12-23-19(17)24-10-4-7-14(11-24)20(25)26/h1-3,5-6,8-9,12,14H,4,7,10-11H2,(H,25,26).
What are the key properties of 1-(8-fluoro-5-phenylquinazolin-4-yl)piperidine-3-carboxylic acid?
1-(8-fluoro-5-phenylquinazolin-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-(8-fluoro-5-phenylquinazolin-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 134210538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).