4-(8-bromoquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine

C17H17BrN4O — CID 133281976

IUPAC4-(8-bromoquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine
SMILESBrc1cccc2c(N3CCOC(Cn4cccn4)C3)ccnc12
InChIInChI=1S/C17H17BrN4O/c18-15-4-1-3-14-16(5-7-19-17(14)15)21-9-10-23-13(11-21)12-22-8-2-6-20-22/h1-8,13H,9-12H2
InChIKeyWEQZTTCROHHDSA-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.10
Rot. Bonds3

About 4-(8-bromoquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine

4-(8-bromoquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine (PubChem CID 133281976) has the molecular formula C17H17BrN4O and a molecular weight of 373.25 g/mol. Its IUPAC name is 4-(8-bromoquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name4-(8-bromoquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine
PubChem CID133281976
Molecular FormulaC17H17BrN4O
Molecular Weight373.25 g/mol
Exact Mass372.06
IUPAC Name4-(8-bromoquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine
SMILESBrc1cccc2c(N3CCOC(Cn4cccn4)C3)ccnc12
InChIInChI=1S/C17H17BrN4O/c18-15-4-1-3-14-16(5-7-19-17(14)15)21-9-10-23-13(11-21)12-22-8-2-6-20-22/h1-8,13H,9-12H2
InChIKeyWEQZTTCROHHDSA-UHFFFAOYSA-N
XLogP3.10
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-(7,8-difluoro-2-methylquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine
CID 99859516
2-fluoro-6-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile
CID 95278458
N,N-dimethyl-4-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-2-amine
CID 164639660
8-bromo-4-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]quinoline
CID 133292714
1-(8-bromoquinolin-4-yl)pyrrolidine-3-carboxamide
CID 133283487
2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-benzoxazole
CID 95277594
4-acetyl-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile
CID 133443381
7-(8-bromoquinolin-4-yl)-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 139010511
(2R)-2-(pyrazol-1-ylmethyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-oxazepane
CID 97197141
(2R)-2-phenyl-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 100841955
4-(8-methylquinolin-4-yl)-2-(oxolan-2-yl)morpholine
CID 133368990
4-(6-benzylsulfanylpyrazin-2-yl)-2-(pyrazol-1-ylmethyl)morpholine
CID 133389617

Frequently Asked Questions

What is the IUPAC name of 4-(8-bromoquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine?
The IUPAC name of 4-(8-bromoquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine (CID 133281976) is 4-(8-bromoquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine.
What is the SMILES notation for 4-(8-bromoquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine?
The canonical SMILES for 4-(8-bromoquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine is Brc1cccc2c(N3CCOC(Cn4cccn4)C3)ccnc12.
What is the InChIKey of 4-(8-bromoquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine?
The InChIKey is WEQZTTCROHHDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O/c18-15-4-1-3-14-16(5-7-19-17(14)15)21-9-10-23-13(11-21)12-22-8-2-6-20-22/h1-8,13H,9-12H2.
What are the key properties of 4-(8-bromoquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine?
4-(8-bromoquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine has a molecular weight of 373.25 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-bromoquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine is sourced from PubChem (CID 133281976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).