(3R)-2-[2-[(2R)-morpholin-2-yl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

C16H21N3O3 — CID 125119701

IUPAC(3R)-2-[2-[(2R)-morpholin-2-yl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESNC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[C@@H]1CNCCO1
InChIInChI=1S/C16H21N3O3/c17-16(21)14-7-11-3-1-2-4-12(11)10-19(14)15(20)8-13-9-18-5-6-22-13/h1-4,13-14,18H,5-10H2,(H2,17,21)/t13-,14-/m1/s1
InChIKeyHMPOMVZQNKBSSA-ZIAGYGMSSA-N
MW303.36 g/mol
LogP-0.20
Rot. Bonds3

About (3R)-2-[2-[(2R)-morpholin-2-yl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

(3R)-2-[2-[(2R)-morpholin-2-yl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide (PubChem CID 125119701) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is (3R)-2-[2-[(2R)-morpholin-2-yl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-2-[2-[(2R)-morpholin-2-yl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
PubChem CID125119701
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name(3R)-2-[2-[(2R)-morpholin-2-yl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESNC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[C@@H]1CNCCO1
InChIInChI=1S/C16H21N3O3/c17-16(21)14-7-11-3-1-2-4-12(11)10-19(14)15(20)8-13-9-18-5-6-22-13/h1-4,13-14,18H,5-10H2,(H2,17,21)/t13-,14-/m1/s1
InChIKeyHMPOMVZQNKBSSA-ZIAGYGMSSA-N
XLogP-0.20
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-2-[2-[(2R)-morpholin-2-yl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide with MolForge

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Related Compounds

(3S)-2-[2-[(2R)-morpholin-2-yl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 125119699
2-[3-(oxazinan-2-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 46987068
1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-2-morpholin-2-ylethanone
CID 70726575
2-(pyrrolidine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride
CID 119689903
(3R)-2-[2-[(2S)-oxan-2-yl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 124609302
1-(2-morpholin-2-ylacetyl)piperidine-2-carboxamide;hydrochloride
CID 119685230
2-morpholin-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 66427682
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-morpholin-2-ylethanone;hydrochloride
CID 119776734
2-(7-aminoheptanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 119689882
2-morpholin-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide;hydrochloride
CID 119688095
5-(2-morpholin-2-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79344965
(3R)-2-[2-(azetidin-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 64609548

Frequently Asked Questions

What is the IUPAC name of (3R)-2-[2-[(2R)-morpholin-2-yl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The IUPAC name of (3R)-2-[2-[(2R)-morpholin-2-yl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide (CID 125119701) is (3R)-2-[2-[(2R)-morpholin-2-yl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-2-[2-[(2R)-morpholin-2-yl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The canonical SMILES for (3R)-2-[2-[(2R)-morpholin-2-yl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide is NC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[C@@H]1CNCCO1.
What is the InChIKey of (3R)-2-[2-[(2R)-morpholin-2-yl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The InChIKey is HMPOMVZQNKBSSA-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H21N3O3/c17-16(21)14-7-11-3-1-2-4-12(11)10-19(14)15(20)8-13-9-18-5-6-22-13/h1-4,13-14,18H,5-10H2,(H2,17,21)/t13-,14-/m1/s1.
What are the key properties of (3R)-2-[2-[(2R)-morpholin-2-yl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
(3R)-2-[2-[(2R)-morpholin-2-yl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide has a molecular weight of 303.36 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-[2-[(2R)-morpholin-2-yl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 125119701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).