2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(propylcarbamoyl)acetamide

C16H23N3O2 — CID 8724601

IUPAC2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN1c2ccccc2CC[C@@H]1C
InChIInChI=1S/C16H23N3O2/c1-3-10-17-16(21)18-15(20)11-19-12(2)8-9-13-6-4-5-7-14(13)19/h4-7,12H,3,8-11H2,1-2H3,(H2,17,18,20,21)/t12-/m0/s1
InChIKeyANUYFYHWSJAKMN-LBPRGKRZSA-N
MW289.38 g/mol
LogP2.06
Rot. Bonds4

About 2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(propylcarbamoyl)acetamide

2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(propylcarbamoyl)acetamide (PubChem CID 8724601) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(propylcarbamoyl)acetamide
PubChem CID8724601
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN1c2ccccc2CC[C@@H]1C
InChIInChI=1S/C16H23N3O2/c1-3-10-17-16(21)18-15(20)11-19-12(2)8-9-13-6-4-5-7-14(13)19/h4-7,12H,3,8-11H2,1-2H3,(H2,17,18,20,21)/t12-/m0/s1
InChIKeyANUYFYHWSJAKMN-LBPRGKRZSA-N
XLogP2.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopentylcarbamoyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 46802249
N-(cyclohexylcarbamoyl)-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
CID 8593716
N-(ethylcarbamoyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 8685970
2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8593706
methyl 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetate
CID 43089229
N-(4-methoxyphenyl)-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
CID 8724702
2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 26516865
N-(2-aminophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 18069905
3-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one
CID 79395357
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
CID 40821789
2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 8724752
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 24648771

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(propylcarbamoyl)acetamide (CID 8724601) is 2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CN1c2ccccc2CC[C@@H]1C.
What is the InChIKey of 2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(propylcarbamoyl)acetamide?
The InChIKey is ANUYFYHWSJAKMN-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-10-17-16(21)18-15(20)11-19-12(2)8-9-13-6-4-5-7-14(13)19/h4-7,12H,3,8-11H2,1-2H3,(H2,17,18,20,21)/t12-/m0/s1.
What are the key properties of 2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(propylcarbamoyl)acetamide?
2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(propylcarbamoyl)acetamide has a molecular weight of 289.38 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 8724601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).