N-[(1S)-1-quinolin-4-ylethyl]acetamide

C13H14N2O — CID 101472715

IUPACN-[(1S)-1-quinolin-4-ylethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccnc2ccccc12
InChIInChI=1S/C13H14N2O/c1-9(15-10(2)16)11-7-8-14-13-6-4-3-5-12(11)13/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyXVPORTUGQSWROX-VIFPVBQESA-N
MW214.27 g/mol
LogP2.43
Rot. Bonds2

About N-[(1S)-1-quinolin-4-ylethyl]acetamide

N-[(1S)-1-quinolin-4-ylethyl]acetamide (PubChem CID 101472715) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is N-[(1S)-1-quinolin-4-ylethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-quinolin-4-ylethyl]acetamide
PubChem CID101472715
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC NameN-[(1S)-1-quinolin-4-ylethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccnc2ccccc12
InChIInChI=1S/C13H14N2O/c1-9(15-10(2)16)11-7-8-14-13-6-4-3-5-12(11)13/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyXVPORTUGQSWROX-VIFPVBQESA-N
XLogP2.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-3-quinolin-4-ylpropanoic acid
CID 63868077
2-quinolin-4-ylpropanoic acid
CID 127018626
N-(3-methylsulfanyl-1-quinolin-4-ylpropyl)acetamide
CID 162412946
3-quinolin-4-ylpentan-2-one
CID 63196425
CID 160608048
CID 160608048
methyl (2S)-2-amino-2-quinolin-4-ylacetate;hydrochloride
CID 171217015
2-quinolin-4-ylpropanal
CID 54154941
N-[1-(2-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 78814424
1-quinolin-4-ylethanamine;dihydrochloride
CID 69169049
N-[1-(2-iodo-3-pyridinyl)ethyl]acetamide
CID 87649733
N-(2-methylpropoxy)quinoline-4-carboxamide
CID 113304301
S-(2,3-dihydroxy-3-quinolin-4-ylpropyl) ethanethioate
CID 170822161

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-quinolin-4-ylethyl]acetamide?
The IUPAC name of N-[(1S)-1-quinolin-4-ylethyl]acetamide (CID 101472715) is N-[(1S)-1-quinolin-4-ylethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-quinolin-4-ylethyl]acetamide?
The canonical SMILES for N-[(1S)-1-quinolin-4-ylethyl]acetamide is CC(=O)N[C@@H](C)c1ccnc2ccccc12.
What is the InChIKey of N-[(1S)-1-quinolin-4-ylethyl]acetamide?
The InChIKey is XVPORTUGQSWROX-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14N2O/c1-9(15-10(2)16)11-7-8-14-13-6-4-3-5-12(11)13/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-quinolin-4-ylethyl]acetamide?
N-[(1S)-1-quinolin-4-ylethyl]acetamide has a molecular weight of 214.27 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-quinolin-4-ylethyl]acetamide is sourced from PubChem (CID 101472715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).