N-[(1R)-1-(4-chlorophenyl)ethyl]-6-pyridin-3-ylquinolin-4-amine

C22H18ClN3 — CID 155544669

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-6-pyridin-3-ylquinolin-4-amine
SMILESC[C@@H](Nc1ccnc2ccc(-c3cccnc3)cc12)c1ccc(Cl)cc1
InChIInChI=1S/C22H18ClN3/c1-15(16-4-7-19(23)8-5-16)26-22-10-12-25-21-9-6-17(13-20(21)22)18-3-2-11-24-14-18/h2-15H,1H3,(H,25,26)/t15-/m1/s1
InChIKeyLHVQEPIKUBGBJQ-OAHLLOKOSA-N
MW359.86 g/mol
LogP6.12
Rot. Bonds4

About N-[(1R)-1-(4-chlorophenyl)ethyl]-6-pyridin-3-ylquinolin-4-amine

N-[(1R)-1-(4-chlorophenyl)ethyl]-6-pyridin-3-ylquinolin-4-amine (PubChem CID 155544669) has the molecular formula C22H18ClN3 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-6-pyridin-3-ylquinolin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-6-pyridin-3-ylquinolin-4-amine
PubChem CID155544669
Molecular FormulaC22H18ClN3
Molecular Weight359.86 g/mol
Exact Mass359.12
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-6-pyridin-3-ylquinolin-4-amine
SMILESC[C@@H](Nc1ccnc2ccc(-c3cccnc3)cc12)c1ccc(Cl)cc1
InChIInChI=1S/C22H18ClN3/c1-15(16-4-7-19(23)8-5-16)26-22-10-12-25-21-9-6-17(13-20(21)22)18-3-2-11-24-14-18/h2-15H,1H3,(H,25,26)/t15-/m1/s1
InChIKeyLHVQEPIKUBGBJQ-OAHLLOKOSA-N
XLogP6.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.86
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-6-pyridin-3-ylquinolin-4-amine?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-6-pyridin-3-ylquinolin-4-amine (CID 155544669) is N-[(1R)-1-(4-chlorophenyl)ethyl]-6-pyridin-3-ylquinolin-4-amine.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-6-pyridin-3-ylquinolin-4-amine?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-6-pyridin-3-ylquinolin-4-amine is C[C@@H](Nc1ccnc2ccc(-c3cccnc3)cc12)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-6-pyridin-3-ylquinolin-4-amine?
The InChIKey is LHVQEPIKUBGBJQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H18ClN3/c1-15(16-4-7-19(23)8-5-16)26-22-10-12-25-21-9-6-17(13-20(21)22)18-3-2-11-24-14-18/h2-15H,1H3,(H,25,26)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-6-pyridin-3-ylquinolin-4-amine?
N-[(1R)-1-(4-chlorophenyl)ethyl]-6-pyridin-3-ylquinolin-4-amine has a molecular weight of 359.86 g/mol, XLogP of 6.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-6-pyridin-3-ylquinolin-4-amine is sourced from PubChem (CID 155544669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).