N-[(2,3-dichlorophenyl)methyl]-8-methylquinolin-5-amine

C17H14Cl2N2 — CID 43731505

IUPACN-[(2,3-dichlorophenyl)methyl]-8-methylquinolin-5-amine
SMILESCc1ccc(NCc2cccc(Cl)c2Cl)c2cccnc12
InChIInChI=1S/C17H14Cl2N2/c1-11-7-8-15(13-5-3-9-20-17(11)13)21-10-12-4-2-6-14(18)16(12)19/h2-9,21H,10H2,1H3
InChIKeyZMFMBROVBMSNJQ-UHFFFAOYSA-N
MW317.22 g/mol
LogP5.46
Rot. Bonds3

About N-[(2,3-dichlorophenyl)methyl]-8-methylquinolin-5-amine

N-[(2,3-dichlorophenyl)methyl]-8-methylquinolin-5-amine (PubChem CID 43731505) has the molecular formula C17H14Cl2N2 and a molecular weight of 317.22 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-8-methylquinolin-5-amine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-8-methylquinolin-5-amine
PubChem CID43731505
Molecular FormulaC17H14Cl2N2
Molecular Weight317.22 g/mol
Exact Mass316.05
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-8-methylquinolin-5-amine
SMILESCc1ccc(NCc2cccc(Cl)c2Cl)c2cccnc12
InChIInChI=1S/C17H14Cl2N2/c1-11-7-8-15(13-5-3-9-20-17(11)13)21-10-12-4-2-6-14(18)16(12)19/h2-9,21H,10H2,1H3
InChIKeyZMFMBROVBMSNJQ-UHFFFAOYSA-N
XLogP5.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.22
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine
CID 60928600
8-chloro-N-[(2-ethylphenyl)methyl]quinolin-5-amine
CID 63445925
3-N-[(2,3-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707640
N-[(4-fluoro-2-methylphenyl)methyl]-8-methylquinolin-5-amine
CID 62134419
N-[(2,3-dichlorophenyl)methyl]-4-methylpyridin-3-amine
CID 63329830
[4-[(2,3-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]methanol
CID 122186007
4-[[(8-methylquinolin-5-yl)amino]methyl]phenol
CID 43731510
1-(2,3-dichlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305367
6-chloro-2-methyl-N-(quinolin-8-ylmethyl)pyridin-3-amine
CID 107266353
6-chloro-8-methyl-N-[(2-methylphenyl)methyl]quinolin-5-amine
CID 43674610
2-[[(8-chloroquinolin-5-yl)amino]methyl]benzonitrile
CID 107935902
2-chloro-6-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 112554995

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-8-methylquinolin-5-amine?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-8-methylquinolin-5-amine (CID 43731505) is N-[(2,3-dichlorophenyl)methyl]-8-methylquinolin-5-amine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-8-methylquinolin-5-amine?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-8-methylquinolin-5-amine is Cc1ccc(NCc2cccc(Cl)c2Cl)c2cccnc12.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-8-methylquinolin-5-amine?
The InChIKey is ZMFMBROVBMSNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2/c1-11-7-8-15(13-5-3-9-20-17(11)13)21-10-12-4-2-6-14(18)16(12)19/h2-9,21H,10H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-8-methylquinolin-5-amine?
N-[(2,3-dichlorophenyl)methyl]-8-methylquinolin-5-amine has a molecular weight of 317.22 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-8-methylquinolin-5-amine is sourced from PubChem (CID 43731505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).