1-(1-morpholin-4-ylpropan-2-ylamino)isoquinolin-7-ol

C16H21N3O2 — CID 106538109

IUPAC1-(1-morpholin-4-ylpropan-2-ylamino)isoquinolin-7-ol
SMILESCC(CN1CCOCC1)Nc1nccc2ccc(O)cc12
InChIInChI=1S/C16H21N3O2/c1-12(11-19-6-8-21-9-7-19)18-16-15-10-14(20)3-2-13(15)4-5-17-16/h2-5,10,12,20H,6-9,11H2,1H3,(H,17,18)
InChIKeyRTFLPURIQDJSST-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.07
Rot. Bonds4

About 1-(1-morpholin-4-ylpropan-2-ylamino)isoquinolin-7-ol

1-(1-morpholin-4-ylpropan-2-ylamino)isoquinolin-7-ol (PubChem CID 106538109) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(1-morpholin-4-ylpropan-2-ylamino)isoquinolin-7-ol.

Molecular Properties

Compound Name1-(1-morpholin-4-ylpropan-2-ylamino)isoquinolin-7-ol
PubChem CID106538109
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-(1-morpholin-4-ylpropan-2-ylamino)isoquinolin-7-ol
SMILESCC(CN1CCOCC1)Nc1nccc2ccc(O)cc12
InChIInChI=1S/C16H21N3O2/c1-12(11-19-6-8-21-9-7-19)18-16-15-10-14(20)3-2-13(15)4-5-17-16/h2-5,10,12,20H,6-9,11H2,1H3,(H,17,18)
InChIKeyRTFLPURIQDJSST-UHFFFAOYSA-N
XLogP2.07
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-(1-morpholin-4-ylpropan-2-yl)pyridin-2-amine
CID 62733426
3-iodo-N-(1-morpholin-4-ylpropan-2-yl)pyridin-2-amine
CID 75373063
1-(4-methylsulfinylbutan-2-ylamino)isoquinolin-7-ol
CID 106539731
2-chloro-N-(1-morpholin-4-ylpropan-2-yl)pyridin-4-amine
CID 103721807
1-(1-cyclobutylethylamino)isoquinolin-7-ol
CID 106539803
1-[(4-bromo-3-methylbutan-2-yl)amino]isoquinolin-7-ol
CID 106543097
2-[(7-hydroxyisoquinolin-1-yl)amino]-3-methylbutanoic acid
CID 106536074
4-methoxy-N-(1-morpholin-4-ylpropan-2-yl)pyrimidin-2-amine
CID 112685180
6,8-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)quinolin-4-amine
CID 122570270
1-[1-(4-chlorophenyl)ethylamino]isoquinolin-7-ol
CID 106538116
2,5-dichloro-N-(1-morpholin-4-ylpropan-2-yl)pyrimidin-4-amine
CID 79633115
N-(1-pyrrolidin-1-ylpropan-2-yl)furo[3,2-c]pyridin-4-amine
CID 103702723

Frequently Asked Questions

What is the IUPAC name of 1-(1-morpholin-4-ylpropan-2-ylamino)isoquinolin-7-ol?
The IUPAC name of 1-(1-morpholin-4-ylpropan-2-ylamino)isoquinolin-7-ol (CID 106538109) is 1-(1-morpholin-4-ylpropan-2-ylamino)isoquinolin-7-ol.
What is the SMILES notation for 1-(1-morpholin-4-ylpropan-2-ylamino)isoquinolin-7-ol?
The canonical SMILES for 1-(1-morpholin-4-ylpropan-2-ylamino)isoquinolin-7-ol is CC(CN1CCOCC1)Nc1nccc2ccc(O)cc12.
What is the InChIKey of 1-(1-morpholin-4-ylpropan-2-ylamino)isoquinolin-7-ol?
The InChIKey is RTFLPURIQDJSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12(11-19-6-8-21-9-7-19)18-16-15-10-14(20)3-2-13(15)4-5-17-16/h2-5,10,12,20H,6-9,11H2,1H3,(H,17,18).
What are the key properties of 1-(1-morpholin-4-ylpropan-2-ylamino)isoquinolin-7-ol?
1-(1-morpholin-4-ylpropan-2-ylamino)isoquinolin-7-ol has a molecular weight of 287.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-morpholin-4-ylpropan-2-ylamino)isoquinolin-7-ol is sourced from PubChem (CID 106538109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).