6-bromo-4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]quinazoline

C20H19BrFN3O — CID 133422232

IUPAC6-bromo-4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]quinazoline
SMILESFc1ccc(COC2CCN(c3ncnc4ccc(Br)cc34)CC2)cc1
InChIInChI=1S/C20H19BrFN3O/c21-15-3-6-19-18(11-15)20(24-13-23-19)25-9-7-17(8-10-25)26-12-14-1-4-16(22)5-2-14/h1-6,11,13,17H,7-10,12H2
InChIKeyPVGZXWVTELKFHX-UHFFFAOYSA-N
MW416.29 g/mol
LogP4.72
Rot. Bonds4

About 6-bromo-4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]quinazoline

6-bromo-4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]quinazoline (PubChem CID 133422232) has the molecular formula C20H19BrFN3O and a molecular weight of 416.29 g/mol. Its IUPAC name is 6-bromo-4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]quinazoline.

Molecular Properties

Compound Name6-bromo-4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]quinazoline
PubChem CID133422232
Molecular FormulaC20H19BrFN3O
Molecular Weight416.29 g/mol
Exact Mass415.07
IUPAC Name6-bromo-4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]quinazoline
SMILESFc1ccc(COC2CCN(c3ncnc4ccc(Br)cc34)CC2)cc1
InChIInChI=1S/C20H19BrFN3O/c21-15-3-6-19-18(11-15)20(24-13-23-19)25-9-7-17(8-10-25)26-12-14-1-4-16(22)5-2-14/h1-6,11,13,17H,7-10,12H2
InChIKeyPVGZXWVTELKFHX-UHFFFAOYSA-N
XLogP4.72
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.29
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-Bromoquinazolin-4-yl)morpholine
CID 720652
4-[4-(6-Bromoquinazolin-4-yl)oxycyclohexyl]morpholine
CID 118475316
6-Bromo-4-(2-phenylmorpholin-4-yl)quinoline
CID 51130775
6-Bromo-4-[2-(2-fluorophenoxy)ethoxy]quinazoline
CID 4790054
(2R)-2-phenyl-4-quinazolin-4-ylmorpholine
CID 36722979
6-bromo-N-(3-fluoro-4-phenylmethoxyphenyl)quinazolin-4-amine
CID 54064017
(6-Bromo-2-methyl-quinazolin-4-yl)-(4-ethoxy-3-fluoro-phenyl)-methyl-amine
CID 59242064
5-(3-Bromophenyl)-7-(3-fluoro-4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 67257580
5-(3-Bromo-4-fluorophenyl)-7-(4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 70288225
6-Bromo-4-[4-(2-fluorophenyl)piperazin-1-yl]quinazoline
CID 87020699
6-Bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline
CID 87020702
4-N-[2-(3-bromophenyl)-2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]quinazoline-4,6-diamine
CID 87780826

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]quinazoline?
The IUPAC name of 6-bromo-4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]quinazoline (CID 133422232) is 6-bromo-4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]quinazoline.
What is the SMILES notation for 6-bromo-4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]quinazoline?
The canonical SMILES for 6-bromo-4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]quinazoline is Fc1ccc(COC2CCN(c3ncnc4ccc(Br)cc34)CC2)cc1.
What is the InChIKey of 6-bromo-4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]quinazoline?
The InChIKey is PVGZXWVTELKFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrFN3O/c21-15-3-6-19-18(11-15)20(24-13-23-19)25-9-7-17(8-10-25)26-12-14-1-4-16(22)5-2-14/h1-6,11,13,17H,7-10,12H2.
What are the key properties of 6-bromo-4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]quinazoline?
6-bromo-4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]quinazoline has a molecular weight of 416.29 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]quinazoline is sourced from PubChem (CID 133422232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).