N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine

C20H21ClN2O — CID 16567687

IUPACN-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
SMILESCOc1ccc2cc(CN(C)Cc3ccc(C)cc3)c(Cl)nc2c1
InChIInChI=1S/C20H21ClN2O/c1-14-4-6-15(7-5-14)12-23(2)13-17-10-16-8-9-18(24-3)11-19(16)22-20(17)21/h4-11H,12-13H2,1-3H3
InChIKeyHJAHLKSRRKCXQG-UHFFFAOYSA-N
MW340.85 g/mol
LogP4.84
Rot. Bonds5

About N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine

N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine (PubChem CID 16567687) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
PubChem CID16567687
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC NameN-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
SMILESCOc1ccc2cc(CN(C)Cc3ccc(C)cc3)c(Cl)nc2c1
InChIInChI=1S/C20H21ClN2O/c1-14-4-6-15(7-5-14)12-23(2)13-17-10-16-8-9-18(24-3)11-19(16)22-20(17)21/h4-11H,12-13H2,1-3H3
InChIKeyHJAHLKSRRKCXQG-UHFFFAOYSA-N
XLogP4.84
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-1-(4-ethylphenyl)-N-methylmethanamine
CID 16567666
N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethylpropan-1-amine
CID 60921581
7-methoxy-N,2-dimethyl-N-[(4-methylphenyl)methyl]quinoline-3-carboxamide
CID 18114437
N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine
CID 16608746
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1459808
3-[(2-chloro-7-methoxyquinolin-3-yl)methylsulfanyl]butan-2-ol
CID 103706012
2-chloro-7-methoxy-3-(prop-2-enoxymethyl)quinoline
CID 54939655
2-[(2-chloro-7-methylquinolin-3-yl)methyl-methylamino]acetic acid
CID 43442466
2-chloro-3-(cyclohexyloxymethyl)-7-methoxyquinoline
CID 60922487
N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-3,5-difluoroaniline
CID 46551954
2-chloro-N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 3229764
N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]cyclopropanamine
CID 51119637

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine?
The IUPAC name of N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine (CID 16567687) is N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine.
What is the SMILES notation for N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine?
The canonical SMILES for N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine is COc1ccc2cc(CN(C)Cc3ccc(C)cc3)c(Cl)nc2c1.
What is the InChIKey of N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine?
The InChIKey is HJAHLKSRRKCXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O/c1-14-4-6-15(7-5-14)12-23(2)13-17-10-16-8-9-18(24-3)11-19(16)22-20(17)21/h4-11H,12-13H2,1-3H3.
What are the key properties of N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine?
N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine has a molecular weight of 340.85 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 16567687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).