(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propan-1-one

C20H26N4O — CID 97063045

IUPAC(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propan-1-one
SMILESC[C@H](NC[C@H]1CCCn2ccnc21)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H26N4O/c1-15(22-14-17-8-4-11-23-13-10-21-19(17)23)20(25)24-12-5-7-16-6-2-3-9-18(16)24/h2-3,6,9-10,13,15,17,22H,4-5,7-8,11-12,14H2,1H3/t15-,17+/m0/s1
InChIKeyJMNNHDJAFJNUHW-DOTOQJQBSA-N
MW338.45 g/mol
LogP2.72
Rot. Bonds4

About (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propan-1-one

(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propan-1-one (PubChem CID 97063045) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propan-1-one.

Molecular Properties

Compound Name(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propan-1-one
PubChem CID97063045
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propan-1-one
SMILESC[C@H](NC[C@H]1CCCn2ccnc21)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H26N4O/c1-15(22-14-17-8-4-11-23-13-10-21-19(17)23)20(25)24-12-5-7-16-6-2-3-9-18(16)24/h2-3,6,9-10,13,15,17,22H,4-5,7-8,11-12,14H2,1H3/t15-,17+/m0/s1
InChIKeyJMNNHDJAFJNUHW-DOTOQJQBSA-N
XLogP2.72
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propan-1-one with MolForge

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Related Compounds

(2R)-N,N-diethyl-2-phenyl-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]acetamide
CID 97028328
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid
CID 70362593
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]urea
CID 47097542
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one
CID 78786405
N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2-methylbenzamide
CID 53037121
2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 3271608
(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)propan-1-one
CID 95327955
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9440585
2-(2-bromophenyl)-N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]acetamide
CID 53125880
4-bromo-N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]benzamide
CID 53037123
(2S)-1-(2,3-dihydroindol-1-yl)-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-1-one
CID 2447407
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 51168048

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propan-1-one?
The IUPAC name of (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propan-1-one (CID 97063045) is (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propan-1-one.
What is the SMILES notation for (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propan-1-one?
The canonical SMILES for (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propan-1-one is C[C@H](NC[C@H]1CCCn2ccnc21)C(=O)N1CCCc2ccccc21.
What is the InChIKey of (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propan-1-one?
The InChIKey is JMNNHDJAFJNUHW-DOTOQJQBSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15(22-14-17-8-4-11-23-13-10-21-19(17)23)20(25)24-12-5-7-16-6-2-3-9-18(16)24/h2-3,6,9-10,13,15,17,22H,4-5,7-8,11-12,14H2,1H3/t15-,17+/m0/s1.
What are the key properties of (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propan-1-one?
(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propan-1-one has a molecular weight of 338.45 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propan-1-one is sourced from PubChem (CID 97063045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).