(3R)-3-(hydroxymethyl)-N-isoquinolin-5-ylmorpholine-4-carboxamide

C15H17N3O3 — CID 97433996

IUPAC(3R)-3-(hydroxymethyl)-N-isoquinolin-5-ylmorpholine-4-carboxamide
SMILESO=C(Nc1cccc2cnccc12)N1CCOC[C@H]1CO
InChIInChI=1S/C15H17N3O3/c19-9-12-10-21-7-6-18(12)15(20)17-14-3-1-2-11-8-16-5-4-13(11)14/h1-5,8,12,19H,6-7,9-10H2,(H,17,20)/t12-/m1/s1
InChIKeyNQUNBCYBOJVPPT-GFCCVEGCSA-N
MW287.32 g/mol
LogP1.46
Rot. Bonds2

About (3R)-3-(hydroxymethyl)-N-isoquinolin-5-ylmorpholine-4-carboxamide

(3R)-3-(hydroxymethyl)-N-isoquinolin-5-ylmorpholine-4-carboxamide (PubChem CID 97433996) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (3R)-3-(hydroxymethyl)-N-isoquinolin-5-ylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(3R)-3-(hydroxymethyl)-N-isoquinolin-5-ylmorpholine-4-carboxamide
PubChem CID97433996
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(3R)-3-(hydroxymethyl)-N-isoquinolin-5-ylmorpholine-4-carboxamide
SMILESO=C(Nc1cccc2cnccc12)N1CCOC[C@H]1CO
InChIInChI=1S/C15H17N3O3/c19-9-12-10-21-7-6-18(12)15(20)17-14-3-1-2-11-8-16-5-4-13(11)14/h1-5,8,12,19H,6-7,9-10H2,(H,17,20)/t12-/m1/s1
InChIKeyNQUNBCYBOJVPPT-GFCCVEGCSA-N
XLogP1.46
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-isoquinolin-5-yl-2-morpholin-4-ylacetamide
CID 110483410
(3S)-3-(hydroxymethyl)-N-(2-propylsulfanylphenyl)morpholine-4-carboxamide
CID 97445345
N-(3-bromo-4-pyridinyl)-3-(2-methylpropyl)morpholine-4-carboxamide
CID 138042149
3-(isoquinolin-5-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61205607
1-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-isoquinolin-5-ylurea
CID 118783725
[3-[(1H-imidazol-2-ylmethylamino)methyl]morpholin-4-yl]-isoquinolin-5-ylmethanone
CID 172890202
(3S)-3-(hydroxymethyl)-N-isoquinolin-5-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
CID 54449916
3-[(3-ethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 104743315
(2R)-N-isoquinolin-5-yl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 95150749
2-(3-chlorophenyl)-N-isoquinolin-5-ylpyrrolidine-1-carboxamide
CID 47049591
N-isoquinolin-5-ylimidazole-1-carboxamide
CID 81257687
N-isoquinolin-5-yl-3,3-dimethylbutanamide
CID 29371824

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(hydroxymethyl)-N-isoquinolin-5-ylmorpholine-4-carboxamide?
The IUPAC name of (3R)-3-(hydroxymethyl)-N-isoquinolin-5-ylmorpholine-4-carboxamide (CID 97433996) is (3R)-3-(hydroxymethyl)-N-isoquinolin-5-ylmorpholine-4-carboxamide.
What is the SMILES notation for (3R)-3-(hydroxymethyl)-N-isoquinolin-5-ylmorpholine-4-carboxamide?
The canonical SMILES for (3R)-3-(hydroxymethyl)-N-isoquinolin-5-ylmorpholine-4-carboxamide is O=C(Nc1cccc2cnccc12)N1CCOC[C@H]1CO.
What is the InChIKey of (3R)-3-(hydroxymethyl)-N-isoquinolin-5-ylmorpholine-4-carboxamide?
The InChIKey is NQUNBCYBOJVPPT-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-9-12-10-21-7-6-18(12)15(20)17-14-3-1-2-11-8-16-5-4-13(11)14/h1-5,8,12,19H,6-7,9-10H2,(H,17,20)/t12-/m1/s1.
What are the key properties of (3R)-3-(hydroxymethyl)-N-isoquinolin-5-ylmorpholine-4-carboxamide?
(3R)-3-(hydroxymethyl)-N-isoquinolin-5-ylmorpholine-4-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(hydroxymethyl)-N-isoquinolin-5-ylmorpholine-4-carboxamide is sourced from PubChem (CID 97433996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).