(2S)-N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide

C23H25N3O3 — CID 139437784

IUPAC(2S)-N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide
SMILESC[C@H](Oc1cccc2cccnc12)C(=O)NCC(O)CN1Cc2ccccc2C1
InChIInChI=1S/C23H25N3O3/c1-16(29-21-10-4-8-17-9-5-11-24-22(17)21)23(28)25-12-20(27)15-26-13-18-6-2-3-7-19(18)14-26/h2-11,16,20,27H,12-15H2,1H3,(H,25,28)/t16-,20?/m0/s1
InChIKeyMFLPZXZETDMETA-DJZRFWRSSA-N
MW391.47 g/mol
LogP2.49
Rot. Bonds7

About (2S)-N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide

(2S)-N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide (PubChem CID 139437784) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is (2S)-N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide.

Molecular Properties

Compound Name(2S)-N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide
PubChem CID139437784
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name(2S)-N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide
SMILESC[C@H](Oc1cccc2cccnc12)C(=O)NCC(O)CN1Cc2ccccc2C1
InChIInChI=1S/C23H25N3O3/c1-16(29-21-10-4-8-17-9-5-11-24-22(17)21)23(28)25-12-20(27)15-26-13-18-6-2-3-7-19(18)14-26/h2-11,16,20,27H,12-15H2,1H3,(H,25,28)/t16-,20?/m0/s1
InChIKeyMFLPZXZETDMETA-DJZRFWRSSA-N
XLogP2.49
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide
CID 90241579
2-quinolin-8-yloxypentan-3-one
CID 64868229
N-(furan-2-ylmethyl)-2-quinolin-8-yloxypropanamide
CID 4781245
(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-quinolin-8-yloxyethyl)propanamide
CID 97193156
(2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide
CID 135726830
N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide;sulfane
CID 160757200
2-quinolin-8-yloxybutanehydrazide
CID 63575214
(2R)-N-[(Z)-pyridin-3-ylmethylideneamino]-2-quinolin-8-yloxypropanamide
CID 40543766
N-[(Z)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxyprop-1-enyl]-2-quinolin-8-yloxyacetamide
CID 130320453
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylurea
CID 51084452
N-(furan-2-ylmethylideneamino)-2-quinolin-8-yloxypropanamide
CID 4612942
8-[(2S)-butan-2-yl]oxyquinoline
CID 99646584

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide?
The IUPAC name of (2S)-N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide (CID 139437784) is (2S)-N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide.
What is the SMILES notation for (2S)-N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide?
The canonical SMILES for (2S)-N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide is C[C@H](Oc1cccc2cccnc12)C(=O)NCC(O)CN1Cc2ccccc2C1.
What is the InChIKey of (2S)-N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide?
The InChIKey is MFLPZXZETDMETA-DJZRFWRSSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16(29-21-10-4-8-17-9-5-11-24-22(17)21)23(28)25-12-20(27)15-26-13-18-6-2-3-7-19(18)14-26/h2-11,16,20,27H,12-15H2,1H3,(H,25,28)/t16-,20?/m0/s1.
What are the key properties of (2S)-N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide?
(2S)-N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide has a molecular weight of 391.47 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide is sourced from PubChem (CID 139437784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).