N-[(2-chlorophenyl)methyl]-2-quinolin-8-ylacetamide

C18H15ClN2O — CID 51307001

IUPACN-[(2-chlorophenyl)methyl]-2-quinolin-8-ylacetamide
SMILESO=C(Cc1cccc2cccnc12)NCc1ccccc1Cl
InChIInChI=1S/C18H15ClN2O/c19-16-9-2-1-5-15(16)12-21-17(22)11-14-7-3-6-13-8-4-10-20-18(13)14/h1-10H,11-12H2,(H,21,22)
InChIKeyBGBLGCCYGHKFLX-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.75
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-2-quinolin-8-ylacetamide

N-[(2-chlorophenyl)methyl]-2-quinolin-8-ylacetamide (PubChem CID 51307001) has the molecular formula C18H15ClN2O and a molecular weight of 310.78 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-quinolin-8-ylacetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-quinolin-8-ylacetamide
PubChem CID51307001
Molecular FormulaC18H15ClN2O
Molecular Weight310.78 g/mol
Exact Mass310.09
IUPAC NameN-[(2-chlorophenyl)methyl]-2-quinolin-8-ylacetamide
SMILESO=C(Cc1cccc2cccnc12)NCc1ccccc1Cl
InChIInChI=1S/C18H15ClN2O/c19-16-9-2-1-5-15(16)12-21-17(22)11-14-7-3-6-13-8-4-10-20-18(13)14/h1-10H,11-12H2,(H,21,22)
InChIKeyBGBLGCCYGHKFLX-UHFFFAOYSA-N
XLogP3.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N'-(2-quinolin-8-ylacetyl)benzohydrazide
CID 24662624
N-(quinolin-8-ylmethyl)-2-sulfanylacetamide
CID 81423056
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-quinolin-8-ylacetamide
CID 55507398
2-(methylamino)-N-(quinolin-8-ylmethyl)acetamide
CID 81427166
N-[(2-chlorophenyl)methyl]isoquinoline-1-carboxamide
CID 110851409
N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601
N'-(2-quinolin-8-ylacetyl)benzohydrazide
CID 24663185
2-methoxy-N-(quinolin-8-ylmethyl)acetamide
CID 47468683
N-[(2-chlorophenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide
CID 45192488
(Z)-N-[(2-chlorophenyl)methyl]-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide
CID 108836033
5-[(2-chlorophenyl)methylamino]-N-quinolin-8-ylpyridine-2-carboxamide
CID 109189981
N-[(2-hydroxyphenyl)methyl]quinoline-8-carboxamide
CID 115598832

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-quinolin-8-ylacetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-quinolin-8-ylacetamide (CID 51307001) is N-[(2-chlorophenyl)methyl]-2-quinolin-8-ylacetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-quinolin-8-ylacetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-quinolin-8-ylacetamide is O=C(Cc1cccc2cccnc12)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-quinolin-8-ylacetamide?
The InChIKey is BGBLGCCYGHKFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O/c19-16-9-2-1-5-15(16)12-21-17(22)11-14-7-3-6-13-8-4-10-20-18(13)14/h1-10H,11-12H2,(H,21,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-quinolin-8-ylacetamide?
N-[(2-chlorophenyl)methyl]-2-quinolin-8-ylacetamide has a molecular weight of 310.78 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-quinolin-8-ylacetamide is sourced from PubChem (CID 51307001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).