(3S)-N-morpholin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C14H19N3O2 — CID 104896809

IUPAC(3S)-N-morpholin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(NN1CCOCC1)[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C14H19N3O2/c18-14(16-17-5-7-19-8-6-17)13-9-11-3-1-2-4-12(11)10-15-13/h1-4,13,15H,5-10H2,(H,16,18)/t13-/m0/s1
InChIKeyRNABEXIWVGUQNX-ZDUSSCGKSA-N
MW261.32 g/mol
LogP0.06
Rot. Bonds2

About (3S)-N-morpholin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(3S)-N-morpholin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 104896809) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (3S)-N-morpholin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-morpholin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID104896809
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(3S)-N-morpholin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(NN1CCOCC1)[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C14H19N3O2/c18-14(16-17-5-7-19-8-6-17)13-9-11-3-1-2-4-12(11)10-15-13/h1-4,13,15H,5-10H2,(H,16,18)/t13-/m0/s1
InChIKeyRNABEXIWVGUQNX-ZDUSSCGKSA-N
XLogP0.06
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-N-morpholin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-morpholin-4-yl-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119277751
N-(3-morpholin-4-yl-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119277750
N-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106298865
(3-methylmorpholin-4-yl)-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 61154202
[(3R)-3-methylmorpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 106774300
(3S)-N-methylsulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103287323
(3R)-N',N'-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide
CID 83021398
N-(2,6-dibromophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 107599706
1,2-oxazolidin-2-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 113375553
4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)morpholine-3-carboxamide
CID 83097534
(3R)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 79524266
(3S)-N-(1-acetylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 97311671

Frequently Asked Questions

What is the IUPAC name of (3S)-N-morpholin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3S)-N-morpholin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 104896809) is (3S)-N-morpholin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3S)-N-morpholin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3S)-N-morpholin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is O=C(NN1CCOCC1)[C@@H]1Cc2ccccc2CN1.
What is the InChIKey of (3S)-N-morpholin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is RNABEXIWVGUQNX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-14(16-17-5-7-19-8-6-17)13-9-11-3-1-2-4-12(11)10-15-13/h1-4,13,15H,5-10H2,(H,16,18)/t13-/m0/s1.
What are the key properties of (3S)-N-morpholin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3S)-N-morpholin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-morpholin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 104896809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).