2-[(1S)-1-quinolin-6-ylethyl]benzamide

C18H16N2O — CID 176877599

IUPAC2-[(1S)-1-quinolin-6-ylethyl]benzamide
SMILESC[C@@H](c1ccc2ncccc2c1)c1ccccc1C(N)=O
InChIInChI=1S/C18H16N2O/c1-12(15-6-2-3-7-16(15)18(19)21)13-8-9-17-14(11-13)5-4-10-20-17/h2-12H,1H3,(H2,19,21)/t12-/m0/s1
InChIKeyXPORIIUPHYHJBN-LBPRGKRZSA-N
MW276.34 g/mol
LogP3.49
Rot. Bonds3

About 2-[(1S)-1-quinolin-6-ylethyl]benzamide

2-[(1S)-1-quinolin-6-ylethyl]benzamide (PubChem CID 176877599) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[(1S)-1-quinolin-6-ylethyl]benzamide.

Molecular Properties

Compound Name2-[(1S)-1-quinolin-6-ylethyl]benzamide
PubChem CID176877599
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2-[(1S)-1-quinolin-6-ylethyl]benzamide
SMILESC[C@@H](c1ccc2ncccc2c1)c1ccccc1C(N)=O
InChIInChI=1S/C18H16N2O/c1-12(15-6-2-3-7-16(15)18(19)21)13-8-9-17-14(11-13)5-4-10-20-17/h2-12H,1H3,(H2,19,21)/t12-/m0/s1
InChIKeyXPORIIUPHYHJBN-LBPRGKRZSA-N
XLogP3.49
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-quinolin-6-ylbutanoic acid
CID 81224451
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
ethyl (2R)-2-quinolin-6-ylpropanoate
CID 86328869
6-propan-2-ylquinoline;sulfur dioxide
CID 162251791
methyl 3-hydroxy-2-methyl-3-quinolin-6-ylpropanoate
CID 63971839
2-[hydroxy(quinolin-6-yl)methyl]-3-methylbutanoic acid
CID 63973005
6-methylquinoline-7-carboxamide
CID 142343744
2-quinolin-6-ylpropan-1-amine
CID 79002101
6-(1-nitrosoethyl)quinoline
CID 54028651
2-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 140522394
methyl 2,3-dihydroxy-3-quinolin-6-ylpropanoate
CID 171864271
4-hydroxy-2-methyl-4-quinolin-6-ylbutanoic acid
CID 63969311

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-quinolin-6-ylethyl]benzamide?
The IUPAC name of 2-[(1S)-1-quinolin-6-ylethyl]benzamide (CID 176877599) is 2-[(1S)-1-quinolin-6-ylethyl]benzamide.
What is the SMILES notation for 2-[(1S)-1-quinolin-6-ylethyl]benzamide?
The canonical SMILES for 2-[(1S)-1-quinolin-6-ylethyl]benzamide is C[C@@H](c1ccc2ncccc2c1)c1ccccc1C(N)=O.
What is the InChIKey of 2-[(1S)-1-quinolin-6-ylethyl]benzamide?
The InChIKey is XPORIIUPHYHJBN-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H16N2O/c1-12(15-6-2-3-7-16(15)18(19)21)13-8-9-17-14(11-13)5-4-10-20-17/h2-12H,1H3,(H2,19,21)/t12-/m0/s1.
What are the key properties of 2-[(1S)-1-quinolin-6-ylethyl]benzamide?
2-[(1S)-1-quinolin-6-ylethyl]benzamide has a molecular weight of 276.34 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-quinolin-6-ylethyl]benzamide is sourced from PubChem (CID 176877599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).