N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-1-(4-ethylphenyl)-N-methylmethanamine

C21H23ClN2O — CID 16567666

IUPACN-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-1-(4-ethylphenyl)-N-methylmethanamine
SMILESCCc1ccc(CN(C)Cc2cc3ccc(OC)cc3nc2Cl)cc1
InChIInChI=1S/C21H23ClN2O/c1-4-15-5-7-16(8-6-15)13-24(2)14-18-11-17-9-10-19(25-3)12-20(17)23-21(18)22/h5-12H,4,13-14H2,1-3H3
InChIKeyPXLOIALZFNRKOY-UHFFFAOYSA-N
MW354.88 g/mol
LogP5.09
Rot. Bonds6

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

N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-1-(4-ethylphenyl)-N-methylmethanamine (PubChem CID 16567666) has the molecular formula C21H23ClN2O and a molecular weight of 354.88 g/mol. Its IUPAC name is N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-1-(4-ethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-1-(4-ethylphenyl)-N-methylmethanamine
PubChem CID16567666
Molecular FormulaC21H23ClN2O
Molecular Weight354.88 g/mol
Exact Mass354.15
IUPAC NameN-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-1-(4-ethylphenyl)-N-methylmethanamine
SMILESCCc1ccc(CN(C)Cc2cc3ccc(OC)cc3nc2Cl)cc1
InChIInChI=1S/C21H23ClN2O/c1-4-15-5-7-16(8-6-15)13-24(2)14-18-11-17-9-10-19(25-3)12-20(17)23-21(18)22/h5-12H,4,13-14H2,1-3H3
InChIKeyPXLOIALZFNRKOY-UHFFFAOYSA-N
XLogP5.09
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.88
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-1-(4-ethylphenyl)-N-methylmethanamine with MolForge

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Related Compounds

N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 16567687
N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethylpropan-1-amine
CID 60921581
N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine
CID 16608746
3-[(2-chloro-7-methoxyquinolin-3-yl)methylsulfanyl]butan-2-ol
CID 103706012
3-ethyl-7-methoxy-2-methylquinoline
CID 90882709
2-chloro-7-methoxy-3-(prop-2-enoxymethyl)quinoline
CID 54939655
2-chloro-3-(cyclohexyloxymethyl)-7-methoxyquinoline
CID 60922487
N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-3,5-difluoroaniline
CID 46551954
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
2-chloro-3-fluoro-7-methoxyquinoline
CID 22030591
2-chloro-7-methoxy-3-(3-methylbutoxymethyl)quinoline
CID 60922871
2-chloro-3-(3,3-dimethylbutoxymethyl)-7-methoxyquinoline
CID 66234728

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-1-(4-ethylphenyl)-N-methylmethanamine?
The IUPAC name of N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-1-(4-ethylphenyl)-N-methylmethanamine (CID 16567666) is N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-1-(4-ethylphenyl)-N-methylmethanamine.
What is the SMILES notation for N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-1-(4-ethylphenyl)-N-methylmethanamine?
The canonical SMILES for N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-1-(4-ethylphenyl)-N-methylmethanamine is CCc1ccc(CN(C)Cc2cc3ccc(OC)cc3nc2Cl)cc1.
What is the InChIKey of N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-1-(4-ethylphenyl)-N-methylmethanamine?
The InChIKey is PXLOIALZFNRKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O/c1-4-15-5-7-16(8-6-15)13-24(2)14-18-11-17-9-10-19(25-3)12-20(17)23-21(18)22/h5-12H,4,13-14H2,1-3H3.
What are the key properties of N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-1-(4-ethylphenyl)-N-methylmethanamine?
N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-1-(4-ethylphenyl)-N-methylmethanamine has a molecular weight of 354.88 g/mol, XLogP of 5.09, 6 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]-1-(4-ethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 16567666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).