N-[(1R)-1-(3,4-dichlorophenyl)ethyl]quinoline-2-carboxamide

C18H14Cl2N2O — CID 9467467

IUPACN-[(1R)-1-(3,4-dichlorophenyl)ethyl]quinoline-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2ccccc2n1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H14Cl2N2O/c1-11(13-6-8-14(19)15(20)10-13)21-18(23)17-9-7-12-4-2-3-5-16(12)22-17/h2-11H,1H3,(H,21,23)/t11-/m1/s1
InChIKeyLYLDRTYIMFROMC-LLVKDONJSA-N
MW345.23 g/mol
LogP5.03
Rot. Bonds3

About N-[(1R)-1-(3,4-dichlorophenyl)ethyl]quinoline-2-carboxamide

N-[(1R)-1-(3,4-dichlorophenyl)ethyl]quinoline-2-carboxamide (PubChem CID 9467467) has the molecular formula C18H14Cl2N2O and a molecular weight of 345.23 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-dichlorophenyl)ethyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-dichlorophenyl)ethyl]quinoline-2-carboxamide
PubChem CID9467467
Molecular FormulaC18H14Cl2N2O
Molecular Weight345.23 g/mol
Exact Mass344.05
IUPAC NameN-[(1R)-1-(3,4-dichlorophenyl)ethyl]quinoline-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2ccccc2n1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H14Cl2N2O/c1-11(13-6-8-14(19)15(20)10-13)21-18(23)17-9-7-12-4-2-3-5-16(12)22-17/h2-11H,1H3,(H,21,23)/t11-/m1/s1
InChIKeyLYLDRTYIMFROMC-LLVKDONJSA-N
XLogP5.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.23
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-pyridin-4-ylethyl]quinoline-2-carboxamide
CID 30479872
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]quinoline-2-carboxamide
CID 94066121
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]benzamide
CID 793526
N-[(1S)-1-(furan-2-yl)ethyl]quinoline-2-carboxamide
CID 9481673
N-[(1R)-1-naphthalen-2-ylethyl]pyridine-2-carboxamide
CID 26084577
N-(5-methylhexan-2-yl)quinoline-2-carboxamide
CID 24554913
2-chloro-N-(1-naphthalen-2-ylethyl)benzamide
CID 2950656
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]quinoline-2-carboxamide
CID 9262198
2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66377096
N-(2-chlorophenyl)quinoline-2-carboxamide
CID 878226
N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]quinoline-2-carboxamide
CID 88968167
N-heptan-2-ylquinoline-2-carboxamide
CID 46571103

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-dichlorophenyl)ethyl]quinoline-2-carboxamide?
The IUPAC name of N-[(1R)-1-(3,4-dichlorophenyl)ethyl]quinoline-2-carboxamide (CID 9467467) is N-[(1R)-1-(3,4-dichlorophenyl)ethyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3,4-dichlorophenyl)ethyl]quinoline-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(3,4-dichlorophenyl)ethyl]quinoline-2-carboxamide is C[C@@H](NC(=O)c1ccc2ccccc2n1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(1R)-1-(3,4-dichlorophenyl)ethyl]quinoline-2-carboxamide?
The InChIKey is LYLDRTYIMFROMC-LLVKDONJSA-N. The full InChI is InChI=1S/C18H14Cl2N2O/c1-11(13-6-8-14(19)15(20)10-13)21-18(23)17-9-7-12-4-2-3-5-16(12)22-17/h2-11H,1H3,(H,21,23)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-dichlorophenyl)ethyl]quinoline-2-carboxamide?
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]quinoline-2-carboxamide has a molecular weight of 345.23 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-dichlorophenyl)ethyl]quinoline-2-carboxamide is sourced from PubChem (CID 9467467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).