1-(3-iodophenyl)-N-methyl-1-quinolin-7-ylmethanamine

C17H15IN2 — CID 105021623

IUPAC1-(3-iodophenyl)-N-methyl-1-quinolin-7-ylmethanamine
SMILESCNC(c1cccc(I)c1)c1ccc2cccnc2c1
InChIInChI=1S/C17H15IN2/c1-19-17(13-4-2-6-15(18)10-13)14-8-7-12-5-3-9-20-16(12)11-14/h2-11,17,19H,1H3
InChIKeyQVGZDKPNNCPGGB-UHFFFAOYSA-N
MW374.23 g/mol
LogP4.15
Rot. Bonds3

About 1-(3-iodophenyl)-N-methyl-1-quinolin-7-ylmethanamine

1-(3-iodophenyl)-N-methyl-1-quinolin-7-ylmethanamine (PubChem CID 105021623) has the molecular formula C17H15IN2 and a molecular weight of 374.23 g/mol. Its IUPAC name is 1-(3-iodophenyl)-N-methyl-1-quinolin-7-ylmethanamine.

Molecular Properties

Compound Name1-(3-iodophenyl)-N-methyl-1-quinolin-7-ylmethanamine
PubChem CID105021623
Molecular FormulaC17H15IN2
Molecular Weight374.23 g/mol
Exact Mass374.03
IUPAC Name1-(3-iodophenyl)-N-methyl-1-quinolin-7-ylmethanamine
SMILESCNC(c1cccc(I)c1)c1ccc2cccnc2c1
InChIInChI=1S/C17H15IN2/c1-19-17(13-4-2-6-15(18)10-13)14-8-7-12-5-3-9-20-16(12)11-14/h2-11,17,19H,1H3
InChIKeyQVGZDKPNNCPGGB-UHFFFAOYSA-N
XLogP4.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(3-iodophenyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 105021072
N-methyl-1-(2-methyl-4-pyridinyl)-1-quinolin-7-ylmethanamine
CID 106755701
1-(3,5-difluorophenyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 81227611
N-methyl-1-(6-methyl-2-pyridinyl)-1-quinolin-7-ylmethanamine
CID 81231820
1-(3-chloro-2-pyridinyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 103444253
1-(2-chlorophenyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 81231599
N-methyl-1-(5-methylthiophen-2-yl)-1-quinolin-7-ylmethanamine
CID 105021478
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-7-ylmethanamine
CID 105021513
N-methyl-1-quinolin-7-yl-1-(2H-triazol-4-yl)methanamine
CID 81224032
N-methyl-1-quinolin-7-yl-1-(thiadiazol-5-yl)methanamine
CID 105172703
1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 81227882
2,2-difluoro-N-methyl-1-quinolin-7-ylethanamine
CID 103516964

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodophenyl)-N-methyl-1-quinolin-7-ylmethanamine?
The IUPAC name of 1-(3-iodophenyl)-N-methyl-1-quinolin-7-ylmethanamine (CID 105021623) is 1-(3-iodophenyl)-N-methyl-1-quinolin-7-ylmethanamine.
What is the SMILES notation for 1-(3-iodophenyl)-N-methyl-1-quinolin-7-ylmethanamine?
The canonical SMILES for 1-(3-iodophenyl)-N-methyl-1-quinolin-7-ylmethanamine is CNC(c1cccc(I)c1)c1ccc2cccnc2c1.
What is the InChIKey of 1-(3-iodophenyl)-N-methyl-1-quinolin-7-ylmethanamine?
The InChIKey is QVGZDKPNNCPGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IN2/c1-19-17(13-4-2-6-15(18)10-13)14-8-7-12-5-3-9-20-16(12)11-14/h2-11,17,19H,1H3.
What are the key properties of 1-(3-iodophenyl)-N-methyl-1-quinolin-7-ylmethanamine?
1-(3-iodophenyl)-N-methyl-1-quinolin-7-ylmethanamine has a molecular weight of 374.23 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodophenyl)-N-methyl-1-quinolin-7-ylmethanamine is sourced from PubChem (CID 105021623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).