[1-[5-(2-chlorophenyl)-8-fluoroquinazolin-4-yl]piperidin-3-yl]methanol

C20H19ClFN3O — CID 134220181

IUPAC[1-[5-(2-chlorophenyl)-8-fluoroquinazolin-4-yl]piperidin-3-yl]methanol
SMILESOCC1CCCN(c2ncnc3c(F)ccc(-c4ccccc4Cl)c23)C1
InChIInChI=1S/C20H19ClFN3O/c21-16-6-2-1-5-14(16)15-7-8-17(22)19-18(15)20(24-12-23-19)25-9-3-4-13(10-25)11-26/h1-2,5-8,12-13,26H,3-4,9-11H2
InChIKeyBNLYVXHTSTWORP-UHFFFAOYSA-N
MW371.84 g/mol
LogP4.30
Rot. Bonds3

About [1-[5-(2-chlorophenyl)-8-fluoroquinazolin-4-yl]piperidin-3-yl]methanol

[1-[5-(2-chlorophenyl)-8-fluoroquinazolin-4-yl]piperidin-3-yl]methanol (PubChem CID 134220181) has the molecular formula C20H19ClFN3O and a molecular weight of 371.84 g/mol. Its IUPAC name is [1-[5-(2-chlorophenyl)-8-fluoroquinazolin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[5-(2-chlorophenyl)-8-fluoroquinazolin-4-yl]piperidin-3-yl]methanol
PubChem CID134220181
Molecular FormulaC20H19ClFN3O
Molecular Weight371.84 g/mol
Exact Mass371.12
IUPAC Name[1-[5-(2-chlorophenyl)-8-fluoroquinazolin-4-yl]piperidin-3-yl]methanol
SMILESOCC1CCCN(c2ncnc3c(F)ccc(-c4ccccc4Cl)c23)C1
InChIInChI=1S/C20H19ClFN3O/c21-16-6-2-1-5-14(16)15-7-8-17(22)19-18(15)20(24-12-23-19)25-9-3-4-13(10-25)11-26/h1-2,5-8,12-13,26H,3-4,9-11H2
InChIKeyBNLYVXHTSTWORP-UHFFFAOYSA-N
XLogP4.30
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.84
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(8-fluoro-5-phenylquinazolin-4-yl)piperidine-3-carboxylic acid
CID 134210538
(3R)-1-[5-(4-chloro-3-fluorophenyl)-8-fluoroquinazolin-4-yl]piperidine-3-carboxylic acid
CID 142278694
[(3S)-1-(3-fluoro-2-pyridinyl)piperidin-3-yl]methanol
CID 94573932
1-[5-(3,4-dichlorophenyl)-8-fluoroquinazolin-4-yl]piperidine-3-carbaldehyde
CID 142278663
5-(3-chloro-4-fluorophenyl)-8-fluoro-4-piperidin-1-ylquinazoline
CID 134220296
[1-[6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133299161
[1-(2-aminoquinazolin-4-yl)piperidin-3-yl]methanol
CID 80792862
2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanol
CID 157402306
[1-[2-(3-chloro-4-fluoroanilino)-5-pyrimidin-5-ylpyrimidin-4-yl]piperidin-3-yl]methanol
CID 59354561
(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-(3,5,6-trichloro-2-pyridinyl)piperidin-3-yl]methanol
CID 102750420

Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-chlorophenyl)-8-fluoroquinazolin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[5-(2-chlorophenyl)-8-fluoroquinazolin-4-yl]piperidin-3-yl]methanol (CID 134220181) is [1-[5-(2-chlorophenyl)-8-fluoroquinazolin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[5-(2-chlorophenyl)-8-fluoroquinazolin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[5-(2-chlorophenyl)-8-fluoroquinazolin-4-yl]piperidin-3-yl]methanol is OCC1CCCN(c2ncnc3c(F)ccc(-c4ccccc4Cl)c23)C1.
What is the InChIKey of [1-[5-(2-chlorophenyl)-8-fluoroquinazolin-4-yl]piperidin-3-yl]methanol?
The InChIKey is BNLYVXHTSTWORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O/c21-16-6-2-1-5-14(16)15-7-8-17(22)19-18(15)20(24-12-23-19)25-9-3-4-13(10-25)11-26/h1-2,5-8,12-13,26H,3-4,9-11H2.
What are the key properties of [1-[5-(2-chlorophenyl)-8-fluoroquinazolin-4-yl]piperidin-3-yl]methanol?
[1-[5-(2-chlorophenyl)-8-fluoroquinazolin-4-yl]piperidin-3-yl]methanol has a molecular weight of 371.84 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2-chlorophenyl)-8-fluoroquinazolin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 134220181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).