[1-(3-fluoroanilino)isoquinolin-4-yl]-morpholin-4-ylmethanol

C20H20FN3O2 — CID 123144656

IUPAC[1-(3-fluoroanilino)isoquinolin-4-yl]-morpholin-4-ylmethanol
SMILESOC(c1cnc(Nc2cccc(F)c2)c2ccccc12)N1CCOCC1
InChIInChI=1S/C20H20FN3O2/c21-14-4-3-5-15(12-14)23-19-17-7-2-1-6-16(17)18(13-22-19)20(25)24-8-10-26-11-9-24/h1-7,12-13,20,25H,8-11H2,(H,22,23)
InChIKeyHHOUSKMAIDCCBJ-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.44
Rot. Bonds4

About [1-(3-fluoroanilino)isoquinolin-4-yl]-morpholin-4-ylmethanol

[1-(3-fluoroanilino)isoquinolin-4-yl]-morpholin-4-ylmethanol (PubChem CID 123144656) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is [1-(3-fluoroanilino)isoquinolin-4-yl]-morpholin-4-ylmethanol.

Molecular Properties

Compound Name[1-(3-fluoroanilino)isoquinolin-4-yl]-morpholin-4-ylmethanol
PubChem CID123144656
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name[1-(3-fluoroanilino)isoquinolin-4-yl]-morpholin-4-ylmethanol
SMILESOC(c1cnc(Nc2cccc(F)c2)c2ccccc12)N1CCOCC1
InChIInChI=1S/C20H20FN3O2/c21-14-4-3-5-15(12-14)23-19-17-7-2-1-6-16(17)18(13-22-19)20(25)24-8-10-26-11-9-24/h1-7,12-13,20,25H,8-11H2,(H,22,23)
InChIKeyHHOUSKMAIDCCBJ-UHFFFAOYSA-N
XLogP3.44
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[4-fluoro-3-(trifluoromethyl)anilino]-5-methylisoquinolin-4-yl]-morpholin-4-ylmethanol
CID 123521858
N-(3-fluorophenyl)-4-morpholin-4-ylquinazolin-2-amine
CID 39861394
[5-(3-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184706
[1-(3,5-dichloroanilino)isoquinolin-4-yl]-morpholin-4-ylmethanone
CID 56960201
5-bromo-3-chloro-N-(3-fluorophenyl)pyridin-2-amine
CID 103583086
N-(3-fluoro-4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 138038403
N-(3-fluorophenyl)-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide
CID 109270349
3-[[5-methyl-4-(morpholine-4-carbonyl)isoquinolin-1-yl]amino]benzoic acid
CID 71186139
5-bromo-N-(3-fluorophenyl)pyrimidin-4-amine
CID 66342584
2-N-(3-fluorophenyl)-4-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580341
N-[5-[8-chloro-4-[hydroxy(morpholin-4-yl)methyl]quinolin-2-yl]-2-pyridinyl]acetamide
CID 139292825
3-fluoro-N-phenylaniline
CID 2774466

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoroanilino)isoquinolin-4-yl]-morpholin-4-ylmethanol?
The IUPAC name of [1-(3-fluoroanilino)isoquinolin-4-yl]-morpholin-4-ylmethanol (CID 123144656) is [1-(3-fluoroanilino)isoquinolin-4-yl]-morpholin-4-ylmethanol.
What is the SMILES notation for [1-(3-fluoroanilino)isoquinolin-4-yl]-morpholin-4-ylmethanol?
The canonical SMILES for [1-(3-fluoroanilino)isoquinolin-4-yl]-morpholin-4-ylmethanol is OC(c1cnc(Nc2cccc(F)c2)c2ccccc12)N1CCOCC1.
What is the InChIKey of [1-(3-fluoroanilino)isoquinolin-4-yl]-morpholin-4-ylmethanol?
The InChIKey is HHOUSKMAIDCCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c21-14-4-3-5-15(12-14)23-19-17-7-2-1-6-16(17)18(13-22-19)20(25)24-8-10-26-11-9-24/h1-7,12-13,20,25H,8-11H2,(H,22,23).
What are the key properties of [1-(3-fluoroanilino)isoquinolin-4-yl]-morpholin-4-ylmethanol?
[1-(3-fluoroanilino)isoquinolin-4-yl]-morpholin-4-ylmethanol has a molecular weight of 353.40 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoroanilino)isoquinolin-4-yl]-morpholin-4-ylmethanol is sourced from PubChem (CID 123144656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).