N-[(2-chloroquinolin-3-yl)methyl]-N-(2-phenylethyl)tetradecanamide

C32H43ClN2O — CID 42706224

IUPACN-[(2-chloroquinolin-3-yl)methyl]-N-(2-phenylethyl)tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N(CCc1ccccc1)Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C32H43ClN2O/c1-2-3-4-5-6-7-8-9-10-11-15-22-31(36)35(24-23-27-18-13-12-14-19-27)26-29-25-28-20-16-17-21-30(28)34-32(29)33/h12-14,16-21,25H,2-11,15,22-24,26H2,1H3
InChIKeyQVOLHPNBQQNXPP-UHFFFAOYSA-N
MW507.16 g/mol
LogP9.16
Rot. Bonds17

About N-[(2-chloroquinolin-3-yl)methyl]-N-(2-phenylethyl)tetradecanamide

N-[(2-chloroquinolin-3-yl)methyl]-N-(2-phenylethyl)tetradecanamide (PubChem CID 42706224) has the molecular formula C32H43ClN2O and a molecular weight of 507.16 g/mol. Its IUPAC name is N-[(2-chloroquinolin-3-yl)methyl]-N-(2-phenylethyl)tetradecanamide.

Molecular Properties

Compound NameN-[(2-chloroquinolin-3-yl)methyl]-N-(2-phenylethyl)tetradecanamide
PubChem CID42706224
Molecular FormulaC32H43ClN2O
Molecular Weight507.16 g/mol
Exact Mass506.31
IUPAC NameN-[(2-chloroquinolin-3-yl)methyl]-N-(2-phenylethyl)tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N(CCc1ccccc1)Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C32H43ClN2O/c1-2-3-4-5-6-7-8-9-10-11-15-22-31(36)35(24-23-27-18-13-12-14-19-27)26-29-25-28-20-16-17-21-30(28)34-32(29)33/h12-14,16-21,25H,2-11,15,22-24,26H2,1H3
InChIKeyQVOLHPNBQQNXPP-UHFFFAOYSA-N
XLogP9.16
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.16
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-(2-phenylethyl)pentanamide
CID 112791262
methyl 3-[dodecanoyl(2-phenylethyl)amino]propanoate
CID 42702284
N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-2-methoxy-N-(2-phenylethyl)acetamide
CID 1460030
4-(2-chloroquinolin-3-yl)butanoic acid
CID 116985219
N,N-dihexyl-3-phenylpropanamide
CID 532921
N-butyl-N-[(2-chloroquinolin-3-yl)methyl]-3,5-dimethoxybenzamide
CID 42706440
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-phenoxyphenyl)methyl]dodecanamide
CID 42702978
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]hexanamide
CID 42709412
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146
4-chloro-N-ethyl-N-(2-phenylethyl)butanamide
CID 55205589
N-dodecyl-N-ethyl-3-phenylpropanamide
CID 91693976
N-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]tetradecanamide
CID 42793104

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloroquinolin-3-yl)methyl]-N-(2-phenylethyl)tetradecanamide?
The IUPAC name of N-[(2-chloroquinolin-3-yl)methyl]-N-(2-phenylethyl)tetradecanamide (CID 42706224) is N-[(2-chloroquinolin-3-yl)methyl]-N-(2-phenylethyl)tetradecanamide.
What is the SMILES notation for N-[(2-chloroquinolin-3-yl)methyl]-N-(2-phenylethyl)tetradecanamide?
The canonical SMILES for N-[(2-chloroquinolin-3-yl)methyl]-N-(2-phenylethyl)tetradecanamide is CCCCCCCCCCCCCC(=O)N(CCc1ccccc1)Cc1cc2ccccc2nc1Cl.
What is the InChIKey of N-[(2-chloroquinolin-3-yl)methyl]-N-(2-phenylethyl)tetradecanamide?
The InChIKey is QVOLHPNBQQNXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43ClN2O/c1-2-3-4-5-6-7-8-9-10-11-15-22-31(36)35(24-23-27-18-13-12-14-19-27)26-29-25-28-20-16-17-21-30(28)34-32(29)33/h12-14,16-21,25H,2-11,15,22-24,26H2,1H3.
What are the key properties of N-[(2-chloroquinolin-3-yl)methyl]-N-(2-phenylethyl)tetradecanamide?
N-[(2-chloroquinolin-3-yl)methyl]-N-(2-phenylethyl)tetradecanamide has a molecular weight of 507.16 g/mol, XLogP of 9.16, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloroquinolin-3-yl)methyl]-N-(2-phenylethyl)tetradecanamide is sourced from PubChem (CID 42706224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).