5-(3-chloro-4-fluorophenyl)-8-fluoro-4-piperidin-1-ylquinazoline

C19H16ClF2N3 — CID 134220296

IUPAC5-(3-chloro-4-fluorophenyl)-8-fluoro-4-piperidin-1-ylquinazoline
SMILESFc1ccc(-c2ccc(F)c3ncnc(N4CCCCC4)c23)cc1Cl
InChIInChI=1S/C19H16ClF2N3/c20-14-10-12(4-6-15(14)21)13-5-7-16(22)18-17(13)19(24-11-23-18)25-8-2-1-3-9-25/h4-7,10-11H,1-3,8-9H2
InChIKeyNDJHMJRRNWCVKK-UHFFFAOYSA-N
MW359.81 g/mol
LogP5.22
Rot. Bonds2

About 5-(3-chloro-4-fluorophenyl)-8-fluoro-4-piperidin-1-ylquinazoline

5-(3-chloro-4-fluorophenyl)-8-fluoro-4-piperidin-1-ylquinazoline (PubChem CID 134220296) has the molecular formula C19H16ClF2N3 and a molecular weight of 359.81 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)-8-fluoro-4-piperidin-1-ylquinazoline.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)-8-fluoro-4-piperidin-1-ylquinazoline
PubChem CID134220296
Molecular FormulaC19H16ClF2N3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Name5-(3-chloro-4-fluorophenyl)-8-fluoro-4-piperidin-1-ylquinazoline
SMILESFc1ccc(-c2ccc(F)c3ncnc(N4CCCCC4)c23)cc1Cl
InChIInChI=1S/C19H16ClF2N3/c20-14-10-12(4-6-15(14)21)13-5-7-16(22)18-17(13)19(24-11-23-18)25-8-2-1-3-9-25/h4-7,10-11H,1-3,8-9H2
InChIKeyNDJHMJRRNWCVKK-UHFFFAOYSA-N
XLogP5.22
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.81
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(3,4-dichlorophenyl)-8-fluoroquinazolin-4-yl]piperidine-3-carbaldehyde
CID 142278663
(3R)-1-[5-(4-chloro-3-fluorophenyl)-8-fluoroquinazolin-4-yl]piperidine-3-carboxylic acid
CID 142278694
methyl 1-[5-(3,4-dichlorophenyl)-8-fluoroquinazolin-4-yl]-2-methylpiperidine-3-carboxylate
CID 134210631
methyl 1-[8-fluoro-5-(4-fluoro-3-methylphenyl)quinazolin-4-yl]piperidine-3-carboxylate
CID 134210589
1-[5-(3,4-dichlorophenyl)-8-fluoroquinazolin-4-yl]-6-methylpiperidine-3-carbaldehyde
CID 142278669
1-(8-fluoro-5-phenylquinazolin-4-yl)piperidine-3-carboxylic acid
CID 134210538
5-(3-chloro-4-fluorophenyl)-8-fluoroquinazolin-4-amine;prop-2-enoic acid
CID 142278549
[1-[5-(2-chlorophenyl)-8-fluoroquinazolin-4-yl]piperidin-3-yl]methanol
CID 134220181
6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline
CID 69016475
5-(3,4-dichlorophenyl)-8-fluoroquinazolin-4-amine;1-ethenylcyclopropane-1-carbaldehyde
CID 142278653
1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-ol
CID 134211393
6-chloro-3-fluoro-2-piperidin-1-ylpyridine
CID 123272498

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluorophenyl)-8-fluoro-4-piperidin-1-ylquinazoline?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)-8-fluoro-4-piperidin-1-ylquinazoline (CID 134220296) is 5-(3-chloro-4-fluorophenyl)-8-fluoro-4-piperidin-1-ylquinazoline.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)-8-fluoro-4-piperidin-1-ylquinazoline?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)-8-fluoro-4-piperidin-1-ylquinazoline is Fc1ccc(-c2ccc(F)c3ncnc(N4CCCCC4)c23)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)-8-fluoro-4-piperidin-1-ylquinazoline?
The InChIKey is NDJHMJRRNWCVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2N3/c20-14-10-12(4-6-15(14)21)13-5-7-16(22)18-17(13)19(24-11-23-18)25-8-2-1-3-9-25/h4-7,10-11H,1-3,8-9H2.
What are the key properties of 5-(3-chloro-4-fluorophenyl)-8-fluoro-4-piperidin-1-ylquinazoline?
5-(3-chloro-4-fluorophenyl)-8-fluoro-4-piperidin-1-ylquinazoline has a molecular weight of 359.81 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)-8-fluoro-4-piperidin-1-ylquinazoline is sourced from PubChem (CID 134220296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).