N-[(3-chlorophenyl)methyl]-6-pyridin-4-ylquinolin-4-amine

C21H16ClN3 — CID 175312103

IUPACN-[(3-chlorophenyl)methyl]-6-pyridin-4-ylquinolin-4-amine
SMILESClc1cccc(CNc2ccnc3ccc(-c4ccncc4)cc23)c1
InChIInChI=1S/C21H16ClN3/c22-18-3-1-2-15(12-18)14-25-21-8-11-24-20-5-4-17(13-19(20)21)16-6-9-23-10-7-16/h1-13H,14H2,(H,24,25)
InChIKeyXEKLKVFYDBYNOO-UHFFFAOYSA-N
MW345.83 g/mol
LogP5.56
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-6-pyridin-4-ylquinolin-4-amine

N-[(3-chlorophenyl)methyl]-6-pyridin-4-ylquinolin-4-amine (PubChem CID 175312103) has the molecular formula C21H16ClN3 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-6-pyridin-4-ylquinolin-4-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-6-pyridin-4-ylquinolin-4-amine
PubChem CID175312103
Molecular FormulaC21H16ClN3
Molecular Weight345.83 g/mol
Exact Mass345.10
IUPAC NameN-[(3-chlorophenyl)methyl]-6-pyridin-4-ylquinolin-4-amine
SMILESClc1cccc(CNc2ccnc3ccc(-c4ccncc4)cc23)c1
InChIInChI=1S/C21H16ClN3/c22-18-3-1-2-15(12-18)14-25-21-8-11-24-20-5-4-17(13-19(20)21)16-6-9-23-10-7-16/h1-13H,14H2,(H,24,25)
InChIKeyXEKLKVFYDBYNOO-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

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Related Compounds

N-[(3-chlorophenyl)methyl]quinolin-4-amine
CID 62538449
N-[[3-(chloromethyl)phenyl]methyl]quinolin-4-amine
CID 65028486
6-phenyl-N-propylquinolin-4-amine
CID 63485210
N-[(3-chlorophenyl)methyl]-2-methoxy-5-phenylaniline
CID 2245086
N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]-7-chloroquinolin-4-amine
CID 44819633
3-N-[(3-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678620
7-chloro-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]quinolin-4-amine
CID 133351187
N-[(3-chlorophenyl)methyl]-6-fluoroquinazolin-4-amine
CID 78901321
N-[(3-chlorophenyl)methyl]-1H-indazol-4-amine
CID 54865712
7-chloro-N-[[3-[1-(methylamino)-2-phenylethyl]phenyl]methyl]quinolin-4-amine
CID 91561178
6-chloro-N-[(3-methylthiophen-2-yl)methyl]quinolin-4-amine
CID 154861094
4-N,6-N-bis(pyridin-3-ylmethyl)-1,7-naphthyridine-4,6-diamine
CID 69183762

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-6-pyridin-4-ylquinolin-4-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-6-pyridin-4-ylquinolin-4-amine (CID 175312103) is N-[(3-chlorophenyl)methyl]-6-pyridin-4-ylquinolin-4-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-6-pyridin-4-ylquinolin-4-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-6-pyridin-4-ylquinolin-4-amine is Clc1cccc(CNc2ccnc3ccc(-c4ccncc4)cc23)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-6-pyridin-4-ylquinolin-4-amine?
The InChIKey is XEKLKVFYDBYNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3/c22-18-3-1-2-15(12-18)14-25-21-8-11-24-20-5-4-17(13-19(20)21)16-6-9-23-10-7-16/h1-13H,14H2,(H,24,25).
What are the key properties of N-[(3-chlorophenyl)methyl]-6-pyridin-4-ylquinolin-4-amine?
N-[(3-chlorophenyl)methyl]-6-pyridin-4-ylquinolin-4-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-[(3-chlorophenyl)methyl]-6-pyridin-4-ylquinolin-4-amine is sourced from PubChem (CID 175312103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).