(3-chloro-4-iodophenyl)-quinolin-6-ylmethanamine

C16H12ClIN2 — CID 103215982

IUPAC(3-chloro-4-iodophenyl)-quinolin-6-ylmethanamine
SMILESNC(c1ccc(I)c(Cl)c1)c1ccc2ncccc2c1
InChIInChI=1S/C16H12ClIN2/c17-13-9-12(3-5-14(13)18)16(19)11-4-6-15-10(8-11)2-1-7-20-15/h1-9,16H,19H2
InChIKeyJJCWEPOWFYPRDX-UHFFFAOYSA-N
MW394.64 g/mol
LogP4.54
Rot. Bonds2

About (3-chloro-4-iodophenyl)-quinolin-6-ylmethanamine

(3-chloro-4-iodophenyl)-quinolin-6-ylmethanamine (PubChem CID 103215982) has the molecular formula C16H12ClIN2 and a molecular weight of 394.64 g/mol. Its IUPAC name is (3-chloro-4-iodophenyl)-quinolin-6-ylmethanamine.

Molecular Properties

Compound Name(3-chloro-4-iodophenyl)-quinolin-6-ylmethanamine
PubChem CID103215982
Molecular FormulaC16H12ClIN2
Molecular Weight394.64 g/mol
Exact Mass393.97
IUPAC Name(3-chloro-4-iodophenyl)-quinolin-6-ylmethanamine
SMILESNC(c1ccc(I)c(Cl)c1)c1ccc2ncccc2c1
InChIInChI=1S/C16H12ClIN2/c17-13-9-12(3-5-14(13)18)16(19)11-4-6-15-10(8-11)2-1-7-20-15/h1-9,16H,19H2
InChIKeyJJCWEPOWFYPRDX-UHFFFAOYSA-N
XLogP4.54
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.64
LogP ≤ 54.54
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

(3-chloro-4-iodophenyl)-quinolin-8-ylmethanamine
CID 103215987
(6-methyl-3-pyridinyl)-quinolin-6-ylmethanamine
CID 63155973
(4-tert-butylphenyl)-quinolin-6-ylmethanamine
CID 82106268
2-(2-chlorophenyl)-1-quinolin-6-ylethanamine
CID 63095273
(3-chloro-2-pyridinyl)-quinolin-7-ylmethanamine
CID 103443918
2,2-difluoro-1-quinolin-6-ylethanamine
CID 80604993
(4-chloro-1-propan-2-ylpyrazol-5-yl)-quinolin-6-ylmethanamine
CID 114651326
quinolin-6-yl(1,3-thiazol-2-yl)methanamine
CID 63970380
2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanamine
CID 82789990
[(3-chloro-4-methylphenyl)-quinolin-6-ylmethyl]hydrazine
CID 105327312
2-amino-2-quinolin-6-ylacetonitrile
CID 63968103
(1S)-1-quinolin-6-ylprop-2-en-1-amine
CID 130700290

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-iodophenyl)-quinolin-6-ylmethanamine?
The IUPAC name of (3-chloro-4-iodophenyl)-quinolin-6-ylmethanamine (CID 103215982) is (3-chloro-4-iodophenyl)-quinolin-6-ylmethanamine.
What is the SMILES notation for (3-chloro-4-iodophenyl)-quinolin-6-ylmethanamine?
The canonical SMILES for (3-chloro-4-iodophenyl)-quinolin-6-ylmethanamine is NC(c1ccc(I)c(Cl)c1)c1ccc2ncccc2c1.
What is the InChIKey of (3-chloro-4-iodophenyl)-quinolin-6-ylmethanamine?
The InChIKey is JJCWEPOWFYPRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClIN2/c17-13-9-12(3-5-14(13)18)16(19)11-4-6-15-10(8-11)2-1-7-20-15/h1-9,16H,19H2.
What are the key properties of (3-chloro-4-iodophenyl)-quinolin-6-ylmethanamine?
(3-chloro-4-iodophenyl)-quinolin-6-ylmethanamine has a molecular weight of 394.64 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-iodophenyl)-quinolin-6-ylmethanamine is sourced from PubChem (CID 103215982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).