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

C14H18N2O — CID 125478003

IUPAC2-[(4S)-4-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
SMILESNC(=O)CN1CC[C@@H](C2CC2)c2ccccc21
InChIInChI=1S/C14H18N2O/c15-14(17)9-16-8-7-11(10-5-6-10)12-3-1-2-4-13(12)16/h1-4,10-11H,5-9H2,(H2,15,17)/t11-/m0/s1
InChIKeyBUYVFSIQFRYUTB-NSHDSACASA-N
MW230.31 g/mol
LogP1.88
Rot. Bonds3

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

2-[(4S)-4-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl]acetamide (PubChem CID 125478003) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[(4S)-4-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(4S)-4-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
PubChem CID125478003
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-[(4S)-4-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
SMILESNC(=O)CN1CC[C@@H](C2CC2)c2ccccc21
InChIInChI=1S/C14H18N2O/c15-14(17)9-16-8-7-11(10-5-6-10)12-3-1-2-4-13(12)16/h1-4,10-11H,5-9H2,(H2,15,17)/t11-/m0/s1
InChIKeyBUYVFSIQFRYUTB-NSHDSACASA-N
XLogP1.88
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(oxolan-3-yl)-3,4-dihydro-2H-quinolin-1-yl]acetamide
CID 118364396
1-(2-amino-2-oxoethyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565297
2-[1-(2-amino-2-oxoethyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80578328
3-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)propanamide
CID 114336013
2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone
CID 114337628
2-[(6aS)-6a,7,8,9,10,11-hexahydro-6H-azepino[1,2-a]quinoxalin-5-yl]acetamide
CID 129409111
2-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]acetamide
CID 3069835
(4-amino-3,4-dihydro-2H-quinolin-1-yl)methanol
CID 123223883
2-[(4S)-4-[(1R)-2,2-difluorocyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]ethanamine
CID 125478018
(3aS,6R)-4-oxo-1,2,3,3a,5,6-hexahydropyrrolo[1,2-a][1,4]benzodiazepine-6-carboxamide
CID 69403962
2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-methylacetamide
CID 114338463
N,N-diethyl-2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide
CID 104558270

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl]acetamide?
The IUPAC name of 2-[(4S)-4-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl]acetamide (CID 125478003) is 2-[(4S)-4-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl]acetamide.
What is the SMILES notation for 2-[(4S)-4-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl]acetamide?
The canonical SMILES for 2-[(4S)-4-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl]acetamide is NC(=O)CN1CC[C@@H](C2CC2)c2ccccc21.
What is the InChIKey of 2-[(4S)-4-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl]acetamide?
The InChIKey is BUYVFSIQFRYUTB-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N2O/c15-14(17)9-16-8-7-11(10-5-6-10)12-3-1-2-4-13(12)16/h1-4,10-11H,5-9H2,(H2,15,17)/t11-/m0/s1.
What are the key properties of 2-[(4S)-4-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl]acetamide?
2-[(4S)-4-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl]acetamide has a molecular weight of 230.31 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl]acetamide is sourced from PubChem (CID 125478003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).