(2R)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide

C24H27N3O3 — CID 90241579

IUPAC(2R)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide
SMILESC[C@@H](Oc1cccc2cccnc12)C(=O)NC[C@H](O)CN1CCc2ccccc2C1
InChIInChI=1S/C24H27N3O3/c1-17(30-22-10-4-8-19-9-5-12-25-23(19)22)24(29)26-14-21(28)16-27-13-11-18-6-2-3-7-20(18)15-27/h2-10,12,17,21,28H,11,13-16H2,1H3,(H,26,29)/t17-,21+/m1/s1
InChIKeyYPSQMJYWDJFOKN-UTKZUKDTSA-N
MW405.50 g/mol
LogP2.54
Rot. Bonds7

About (2R)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide

(2R)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide (PubChem CID 90241579) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is (2R)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide
PubChem CID90241579
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name(2R)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide
SMILESC[C@@H](Oc1cccc2cccnc12)C(=O)NC[C@H](O)CN1CCc2ccccc2C1
InChIInChI=1S/C24H27N3O3/c1-17(30-22-10-4-8-19-9-5-12-25-23(19)22)24(29)26-14-21(28)16-27-13-11-18-6-2-3-7-20(18)15-27/h2-10,12,17,21,28H,11,13-16H2,1H3,(H,26,29)/t17-,21+/m1/s1
InChIKeyYPSQMJYWDJFOKN-UTKZUKDTSA-N
XLogP2.54
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide with MolForge

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Related Compounds

(2S)-N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide
CID 139437784
(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-quinolin-8-yloxyethyl)propanamide
CID 97193156
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methoxyphenoxy)acetamide
CID 90328740
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylurea
CID 51084452
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
CID 76902793
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridazine-3-carboxamide;ethane
CID 159426980
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide;ethane
CID 162114767
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-yl)propanamide
CID 109478463
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide;ethane
CID 162114766
2-[(2-amino-3-pyridinyl)oxy]-3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]propanal
CID 123697580
2-quinolin-8-yloxypentan-3-one
CID 64868229
N-(furan-2-ylmethyl)-2-quinolin-8-yloxypropanamide
CID 4781245

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide?
The IUPAC name of (2R)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide (CID 90241579) is (2R)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide.
What is the SMILES notation for (2R)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide?
The canonical SMILES for (2R)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide is C[C@@H](Oc1cccc2cccnc12)C(=O)NC[C@H](O)CN1CCc2ccccc2C1.
What is the InChIKey of (2R)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide?
The InChIKey is YPSQMJYWDJFOKN-UTKZUKDTSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-17(30-22-10-4-8-19-9-5-12-25-23(19)22)24(29)26-14-21(28)16-27-13-11-18-6-2-3-7-20(18)15-27/h2-10,12,17,21,28H,11,13-16H2,1H3,(H,26,29)/t17-,21+/m1/s1.
What are the key properties of (2R)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide?
(2R)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide has a molecular weight of 405.50 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide is sourced from PubChem (CID 90241579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).