6-chloro-N-cyclohexylquinazolin-4-amine

C14H16ClN3 — CID 13231193

IUPAC6-chloro-N-cyclohexylquinazolin-4-amine
SMILESClc1ccc2ncnc(NC3CCCCC3)c2c1
InChIInChI=1S/C14H16ClN3/c15-10-6-7-13-12(8-10)14(17-9-16-13)18-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,16,17,18)
InChIKeyBUADBGGSTFYGHJ-UHFFFAOYSA-N
MW261.76 g/mol
LogP4.03
Rot. Bonds2

About 6-chloro-N-cyclohexylquinazolin-4-amine

6-chloro-N-cyclohexylquinazolin-4-amine (PubChem CID 13231193) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 6-chloro-N-cyclohexylquinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-cyclohexylquinazolin-4-amine
PubChem CID13231193
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name6-chloro-N-cyclohexylquinazolin-4-amine
SMILESClc1ccc2ncnc(NC3CCCCC3)c2c1
InChIInChI=1S/C14H16ClN3/c15-10-6-7-13-12(8-10)14(17-9-16-13)18-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,16,17,18)
InChIKeyBUADBGGSTFYGHJ-UHFFFAOYSA-N
XLogP4.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclohexylquinazolin-4-amine?
The IUPAC name of 6-chloro-N-cyclohexylquinazolin-4-amine (CID 13231193) is 6-chloro-N-cyclohexylquinazolin-4-amine.
What is the SMILES notation for 6-chloro-N-cyclohexylquinazolin-4-amine?
The canonical SMILES for 6-chloro-N-cyclohexylquinazolin-4-amine is Clc1ccc2ncnc(NC3CCCCC3)c2c1.
What is the InChIKey of 6-chloro-N-cyclohexylquinazolin-4-amine?
The InChIKey is BUADBGGSTFYGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c15-10-6-7-13-12(8-10)14(17-9-16-13)18-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,16,17,18).
What are the key properties of 6-chloro-N-cyclohexylquinazolin-4-amine?
6-chloro-N-cyclohexylquinazolin-4-amine has a molecular weight of 261.76 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclohexylquinazolin-4-amine is sourced from PubChem (CID 13231193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).