N-benzyl-6-chloro-5-quinolin-5-ylpyridin-3-amine

C21H16ClN3 — CID 164889297

IUPACN-benzyl-6-chloro-5-quinolin-5-ylpyridin-3-amine
SMILESClc1ncc(NCc2ccccc2)cc1-c1cccc2ncccc12
InChIInChI=1S/C21H16ClN3/c22-21-19(17-8-4-10-20-18(17)9-5-11-23-20)12-16(14-25-21)24-13-15-6-2-1-3-7-15/h1-12,14,24H,13H2
InChIKeyVRUKNHIWQHOODW-UHFFFAOYSA-N
MW345.83 g/mol
LogP5.56
Rot. Bonds4

About N-benzyl-6-chloro-5-quinolin-5-ylpyridin-3-amine

N-benzyl-6-chloro-5-quinolin-5-ylpyridin-3-amine (PubChem CID 164889297) has the molecular formula C21H16ClN3 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-benzyl-6-chloro-5-quinolin-5-ylpyridin-3-amine.

Molecular Properties

Compound NameN-benzyl-6-chloro-5-quinolin-5-ylpyridin-3-amine
PubChem CID164889297
Molecular FormulaC21H16ClN3
Molecular Weight345.83 g/mol
Exact Mass345.10
IUPAC NameN-benzyl-6-chloro-5-quinolin-5-ylpyridin-3-amine
SMILESClc1ncc(NCc2ccccc2)cc1-c1cccc2ncccc12
InChIInChI=1S/C21H16ClN3/c22-21-19(17-8-4-10-20-18(17)9-5-11-23-20)12-16(14-25-21)24-13-15-6-2-1-3-7-15/h1-12,14,24H,13H2
InChIKeyVRUKNHIWQHOODW-UHFFFAOYSA-N
XLogP5.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.83
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-[(4-methoxyphenyl)methyl]-5-quinolin-5-ylpyrazine-2,3-diamine
CID 66699817
N-[(3-chlorophenyl)methyl]quinolin-4-amine
CID 62538449
3-(chloromethyl)-N-(quinolin-4-ylmethyl)aniline
CID 79240217
(2-quinolin-5-ylphenyl)methanol
CID 172649381
N-benzyl-5-chloropyridin-3-amine
CID 146273772
N-phenyl-4-quinolin-5-ylaniline
CID 118462701
(2-quinolin-5-ylphenyl)methanamine
CID 81224360
N-[(3-quinolin-5-ylphenyl)methyl]propan-2-amine
CID 81230330
N-[[3-(chloromethyl)phenyl]methyl]quinolin-4-amine
CID 65028486
3-chloro-5-quinolin-5-yl-1H-pyridazine-6-thione
CID 106519522
N-(quinolin-4-ylmethyl)aniline
CID 57199115
N-benzyl-4-chloroquinolin-2-amine
CID 146441058

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-chloro-5-quinolin-5-ylpyridin-3-amine?
The IUPAC name of N-benzyl-6-chloro-5-quinolin-5-ylpyridin-3-amine (CID 164889297) is N-benzyl-6-chloro-5-quinolin-5-ylpyridin-3-amine.
What is the SMILES notation for N-benzyl-6-chloro-5-quinolin-5-ylpyridin-3-amine?
The canonical SMILES for N-benzyl-6-chloro-5-quinolin-5-ylpyridin-3-amine is Clc1ncc(NCc2ccccc2)cc1-c1cccc2ncccc12.
What is the InChIKey of N-benzyl-6-chloro-5-quinolin-5-ylpyridin-3-amine?
The InChIKey is VRUKNHIWQHOODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3/c22-21-19(17-8-4-10-20-18(17)9-5-11-23-20)12-16(14-25-21)24-13-15-6-2-1-3-7-15/h1-12,14,24H,13H2.
What are the key properties of N-benzyl-6-chloro-5-quinolin-5-ylpyridin-3-amine?
N-benzyl-6-chloro-5-quinolin-5-ylpyridin-3-amine has a molecular weight of 345.83 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-chloro-5-quinolin-5-ylpyridin-3-amine is sourced from PubChem (CID 164889297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).