N-[4-(chloromethyl)phenyl]quinolin-4-amine

C16H13ClN2 — CID 65029423

IUPACN-[4-(chloromethyl)phenyl]quinolin-4-amine
SMILESClCc1ccc(Nc2ccnc3ccccc23)cc1
InChIInChI=1S/C16H13ClN2/c17-11-12-5-7-13(8-6-12)19-16-9-10-18-15-4-2-1-3-14(15)16/h1-10H,11H2,(H,18,19)
InChIKeyVOIIYHVNZYMXOE-UHFFFAOYSA-N
MW268.75 g/mol
LogP4.72
Rot. Bonds3

About N-[4-(chloromethyl)phenyl]quinolin-4-amine

N-[4-(chloromethyl)phenyl]quinolin-4-amine (PubChem CID 65029423) has the molecular formula C16H13ClN2 and a molecular weight of 268.75 g/mol. Its IUPAC name is N-[4-(chloromethyl)phenyl]quinolin-4-amine.

Molecular Properties

Compound NameN-[4-(chloromethyl)phenyl]quinolin-4-amine
PubChem CID65029423
Molecular FormulaC16H13ClN2
Molecular Weight268.75 g/mol
Exact Mass268.08
IUPAC NameN-[4-(chloromethyl)phenyl]quinolin-4-amine
SMILESClCc1ccc(Nc2ccnc3ccccc23)cc1
InChIInChI=1S/C16H13ClN2/c17-11-12-5-7-13(8-6-12)19-16-9-10-18-15-4-2-1-3-14(15)16/h1-10H,11H2,(H,18,19)
InChIKeyVOIIYHVNZYMXOE-UHFFFAOYSA-N
XLogP4.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)phenyl]quinolin-4-amine?
The IUPAC name of N-[4-(chloromethyl)phenyl]quinolin-4-amine (CID 65029423) is N-[4-(chloromethyl)phenyl]quinolin-4-amine.
What is the SMILES notation for N-[4-(chloromethyl)phenyl]quinolin-4-amine?
The canonical SMILES for N-[4-(chloromethyl)phenyl]quinolin-4-amine is ClCc1ccc(Nc2ccnc3ccccc23)cc1.
What is the InChIKey of N-[4-(chloromethyl)phenyl]quinolin-4-amine?
The InChIKey is VOIIYHVNZYMXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2/c17-11-12-5-7-13(8-6-12)19-16-9-10-18-15-4-2-1-3-14(15)16/h1-10H,11H2,(H,18,19).
What are the key properties of N-[4-(chloromethyl)phenyl]quinolin-4-amine?
N-[4-(chloromethyl)phenyl]quinolin-4-amine has a molecular weight of 268.75 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)phenyl]quinolin-4-amine is sourced from PubChem (CID 65029423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).