(3-chloro-4-iodophenyl)-quinolin-8-ylmethanamine

C16H12ClIN2 — CID 103215987

IUPAC(3-chloro-4-iodophenyl)-quinolin-8-ylmethanamine
SMILESNC(c1ccc(I)c(Cl)c1)c1cccc2cccnc12
InChIInChI=1S/C16H12ClIN2/c17-13-9-11(6-7-14(13)18)15(19)12-5-1-3-10-4-2-8-20-16(10)12/h1-9,15H,19H2
InChIKeyYETOSLGQRDAXSR-UHFFFAOYSA-N
MW394.64 g/mol
LogP4.54
Rot. Bonds2

About (3-chloro-4-iodophenyl)-quinolin-8-ylmethanamine

(3-chloro-4-iodophenyl)-quinolin-8-ylmethanamine (PubChem CID 103215987) has the molecular formula C16H12ClIN2 and a molecular weight of 394.64 g/mol. Its IUPAC name is (3-chloro-4-iodophenyl)-quinolin-8-ylmethanamine.

Molecular Properties

Compound Name(3-chloro-4-iodophenyl)-quinolin-8-ylmethanamine
PubChem CID103215987
Molecular FormulaC16H12ClIN2
Molecular Weight394.64 g/mol
Exact Mass393.97
IUPAC Name(3-chloro-4-iodophenyl)-quinolin-8-ylmethanamine
SMILESNC(c1ccc(I)c(Cl)c1)c1cccc2cccnc12
InChIInChI=1S/C16H12ClIN2/c17-13-9-11(6-7-14(13)18)15(19)12-5-1-3-10-4-2-8-20-16(10)12/h1-9,15H,19H2
InChIKeyYETOSLGQRDAXSR-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-6-ylmethanamine
CID 103215982
(3-chloro-2-methylphenyl)-quinolin-8-ylmethanamine
CID 107102903
(3-methoxy-4-methylphenyl)-quinolin-8-ylmethanamine
CID 105021239
quinolin-8-yl(thiophen-3-yl)methanamine
CID 81220765
quinolin-8-yl-(2,4,6-trimethylphenyl)methanamine
CID 115604891
8-(dichloromethyl)quinoline
CID 19989328
(2,3-difluorophenyl)-quinolin-8-ylmethanamine
CID 105021274
(2-ethylpyrazol-3-yl)-quinolin-8-ylmethanamine
CID 105148379
(2-methylsulfanylphenyl)-quinolin-8-ylmethanamine
CID 105021362
2-(2,5-dichlorophenyl)-1-quinolin-8-ylethanamine
CID 105151425
(3-chloro-4-fluorophenyl)-quinolin-5-ylmethanamine
CID 81231315
(1-ethylpyrazol-4-yl)-quinolin-8-ylmethanamine
CID 105109051

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-iodophenyl)-quinolin-8-ylmethanamine?
The IUPAC name of (3-chloro-4-iodophenyl)-quinolin-8-ylmethanamine (CID 103215987) is (3-chloro-4-iodophenyl)-quinolin-8-ylmethanamine.
What is the SMILES notation for (3-chloro-4-iodophenyl)-quinolin-8-ylmethanamine?
The canonical SMILES for (3-chloro-4-iodophenyl)-quinolin-8-ylmethanamine is NC(c1ccc(I)c(Cl)c1)c1cccc2cccnc12.
What is the InChIKey of (3-chloro-4-iodophenyl)-quinolin-8-ylmethanamine?
The InChIKey is YETOSLGQRDAXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClIN2/c17-13-9-11(6-7-14(13)18)15(19)12-5-1-3-10-4-2-8-20-16(10)12/h1-9,15H,19H2.
What are the key properties of (3-chloro-4-iodophenyl)-quinolin-8-ylmethanamine?
(3-chloro-4-iodophenyl)-quinolin-8-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-8-ylmethanamine is sourced from PubChem (CID 103215987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).